chempirical

1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, N-butyl-4,5,6,7-tetrahydro-N-methyl-, hydrochloride (1:1)

C12H21ClN4OCAS 1220017-77-5272.78 g/mol

Open in Covalent MOL file
NONHNNHHCl
AmideSecondary amine

Properties

Molecular formula
C12H21ClN4O
Molar mass
272.78 g/mol
Exact mass
272.1404 Da
logP
1.35Crippen estimate
Polar surface area
61.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
1220017-77-5
SMILES
CCCCN(C)C(=O)c1n[nH]c2c1CNCC2.Cl
InChIKey
MIRDYOABNFVREJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N4O.ClH/c1-3-4-7-16(2)12(17)11-9-8-13-6-5-10(9)14-15-11;/h13H,3-8H2,1-2H3,(H,14,15);1H

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

Work with 1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, N-butyl-4,5,6,7-tetrahydro-N-methyl-, 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

1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, 4,5,6,7-tetrahydro-N-(2-hydroxyethyl)-N-methyl-, hydrochloride (1:1)1219976-29-075 % similar N,N-Dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridine-3-carboxamide hydrochloride1211512-45-668 % similar Methanone, 1-pyrrolidinyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1219976-21-267 % similar (4-Methyl-1-piperidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)methanone hcl1220029-24-265 % similar 1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, N,N-diethyl-4,5,6,7-tetrahydro-, hydrochloride (1:1)1220017-83-365 % similar 1-Piperidinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridin-3-yl)methanone hydrochloride1220039-26-865 % similar (2-Methyl-1-piperidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)methanone hcl1220034-03-662 % similar N-Cyclohexyl-N-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridine-3-carboxamide hcl1219982-56-560 % similar

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

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