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Molecule
1H-Pyrazolo[4,3-C]Pyridine-3-Carboxamide, 4,5,6,7-Tetrahydro-N-(2-Hydroxyethyl)-N-Methyl-, Hydrochloride (1:1)
CAS: 1219976-29-0 · C10H17ClN4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1219976-29-0
- Molecular Formula
- C10H17ClN4O2
- Molecular Mass
- 260.73 g/mol
Identifiers
CAS Registry Number
1219976-29-0
SMILES
CN(CCO)C(=O)c1n[nH]c2c1CNCC2.Cl
InChI Key
RASRXDGJZGGEIF-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N4O2.ClH/c1-14(4-5-15)10(16)9-7-6-11-3-2-8(7)12-13-9;/h11,15H,2-6H2,1H3,(H,12,13);1H
Names and Synonyms
- 1H-Pyrazolo[4,3-C]Pyridine-3-Carboxamide, 4,5,6,7-Tetrahydro-N-(2-Hydroxyethyl)-N-Methyl-, Hydrochloride (1:1) Synonym
- 1H-Pyrazolo[4,3-c]pyridine-3-carboxamide, 4,5,6,7-tetrahydro-N-(2-hydroxyethyl)-N-methyl-, hydrochloride (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.73 g/mol | CAS Common Chemistry |
| 260.72499999999997 g/mol | RDKit | |
| 260.725 g/mol | RDKit | |
| 261.73 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(C1=NNC2=C1CNCC2)N(C)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N4O2.ClH/c1-14(4-5-15)10(16)9-7-6-11-3-2-8(7)12-13-9;/h11,15H,2-6H2,1H3,(H,12,13);1H | CAS Common Chemistry |
| InChI Key | InChIKey=RASRXDGJZGGEIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1H-Pyrazolo[4,3-c]pyridine-3-carboxamide, 4,5,6,7-tetrahydro-N-(2-hydroxyethyl)-N-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 81.25 Ų | RDKit |
| 76.7 Ų | chempirical lib | |
| LogP | -0.4585000000000003 | RDKit |
| -0.4585 | RDKit | |
| Molar Refractivity | 65.29270000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 260.104003464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 260.73 g/mol. Edit any field — others recompute live.
