3,5-Dimethyl-1H-pyrazole-1-propanamine

C₈H₁₅N₃CAS 62821-89-0153.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₅N₃
Molar mass: 153.23 g/mol
Exact mass: 153.1266 Da
Density: 0.9991 g/mL (at 20 °C)
Boiling point: 130–131 °C (at 15 Torr)
logP: 0.85Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

62821-89-0

SMILES

Cc1cc(C)n(CCCN)n1

InChIKey

AFJVVHQSOQPLOC-UHFFFAOYSA-N

InChI

InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3

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Names and synonyms

4 names

1H-Pyrazole-1-propanamine, 3,5-dimethyl-
Pyrazole, 1-(3-aminopropyl)-3,5-dimethyl-
1-(3-Aminopropyl)-3,5-dimethylpyrazole
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propylamine

Work with 3,5-Dimethyl-1H-pyrazole-1-propanamine

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

1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-153 % similar 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-449 % similar 1,3,5-Trimethylpyrazole1072-91-941 % similar 2-Methyl-1H-imidazole-1-propanamine2258-21-138 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-436 % similar 3,5-Dimethyl-1H-pyrazole-1-carboxamide934-48-534 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-132 % similar 1H-Imidazole-1-propanamine5036-48-631 % similar

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

Same formula

3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-2 7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene84030-20-6

Elsewhere

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