Methanone, (3-hydroxy-1-pyrrolidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)

C₁₁H₁₇ClN₄O₂CAS 1219976-33-6272.73 g/mol

Open in Covalent MOL file

Alcohol Amide Secondary amine

Properties

Molecular formula: C₁₁H₁₇ClN₄O₂
Molar mass: 272.73 g/mol
Exact mass: 272.1040 Da
logP: -0.32Crippen estimate
Polar surface area: 81.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Identifiers

CAS number

1219976-33-6

SMILES

Cl.O=C(c1n[nH]c2c1CNCC2)N1CCC(O)C1

InChIKey

WXKRQSVSRNZTNO-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N4O2.ClH/c16-7-2-4-15(6-7)11(17)10-8-5-12-3-1-9(8)13-14-10;/h7,12,16H,1-6H2,(H,13,14);1H

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Type any one amount. The others follow from the molar mass.

Work with Methanone, (3-hydroxy-1-pyrrolidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4-Methyl-1-piperidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)methanone hcl1220029-24-270 % similar Methanone, 1-pyrrolidinyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1219976-21-269 % similar 1-Piperidinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridin-3-yl)methanone hydrochloride1220039-26-867 % similar 1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, N,N-diethyl-4,5,6,7-tetrahydro-, hydrochloride (1:1)1220017-83-364 % similar N,N-Dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridine-3-carboxamide hydrochloride1211512-45-660 % similar 1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, 4,5,6,7-tetrahydro-N-(2-hydroxyethyl)-N-methyl-, hydrochloride (1:1)1219976-29-059 % similar Methanone, (3,4-dihydro-2(1H)-isoquinolinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1219957-23-958 % similar (2-Methyl-1-piperidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)methanone hcl1220034-03-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Morpholinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridin-3-yl)methanone hydrochloride1220027-05-3

Elsewhere

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