1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride

C21H25Cl2N5O — CID 119459838

IUPAC1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H23N5O.2ClH/c27-21(24-13-16-6-4-10-22-12-16)19-15-26(18-8-2-1-3-9-18)25-20(19)17-7-5-11-23-14-17;;/h1-3,5,7-9,11,14-16,22H,4,6,10,12-13H2,(H,24,27);2*1H
InChIKeyZBFFABXLQIAZJK-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.51
Rot. Bonds5

About 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride

1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride (PubChem CID 119459838) has the molecular formula C21H25Cl2N5O and a molecular weight of 434.37 g/mol. Its IUPAC name is 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
PubChem CID119459838
Molecular FormulaC21H25Cl2N5O
Molecular Weight434.37 g/mol
Exact Mass433.14
IUPAC Name1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H23N5O.2ClH/c27-21(24-13-16-6-4-10-22-12-16)19-15-26(18-8-2-1-3-9-18)25-20(19)17-7-5-11-23-14-17;;/h1-3,5,7-9,11,14-16,22H,4,6,10,12-13H2,(H,24,27);2*1H
InChIKeyZBFFABXLQIAZJK-UHFFFAOYSA-N
XLogP3.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119459875
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119459876
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461433
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71892750
N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 94133021
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride (CID 119459838) is 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCNC1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride?
The InChIKey is ZBFFABXLQIAZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.2ClH/c27-21(24-13-16-6-4-10-22-12-16)19-15-26(18-8-2-1-3-9-18)25-20(19)17-7-5-11-23-14-17;;/h1-3,5,7-9,11,14-16,22H,4,6,10,12-13H2,(H,24,27);2*1H.
What are the key properties of 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride?
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119459838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).