chempirical

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

C11H17ClN4OCAS 1219976-21-2256.73 g/mol

Open in Covalent MOL file
HClONHNNHN
AmideSecondary amine

Properties

Molecular formula
C11H17ClN4O
Molar mass
256.73 g/mol
Exact mass
256.1091 Da
logP
0.71Crippen estimate
Polar surface area
61.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
1219976-21-2
SMILES
Cl.O=C(c1n[nH]c2c1CNCC2)N1CCCC1
InChIKey
KJYARHNCDGZKCJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N4O.ClH/c16-11(15-5-1-2-6-15)10-8-7-12-4-3-9(8)13-14-10;/h12H,1-7H2,(H,13,14);1H

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

Work with Methanone, 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

1-Piperidinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridin-3-yl)methanone hydrochloride1220039-26-898 % similar 4-Morpholinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridin-3-yl)methanone hydrochloride1220027-05-380 % similar 1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, N,N-diethyl-4,5,6,7-tetrahydro-, hydrochloride (1:1)1220017-83-376 % similar (4-Methyl-1-piperidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)methanone hcl1220029-24-275 % similar N,N-Dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridine-3-carboxamide hydrochloride1211512-45-671 % similar Methanone, [4-(phenylmethyl)-1-piperazinyl](4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1220027-11-169 % similar Methanone, (3-hydroxy-1-pyrrolidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1219976-33-669 % similar Methanone, (3,4-dihydro-2(1H)-isoquinolinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1219957-23-967 % similar

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

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