N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride

C16H20Cl2N4O — CID 126786611

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCCNC1
InChIInChI=1S/C16H19ClN4O.ClH/c17-14-5-3-12(4-6-14)10-21-11-15(9-19-21)20-16(22)13-2-1-7-18-8-13;/h3-6,9,11,13,18H,1-2,7-8,10H2,(H,20,22);1H
InChIKeyUDDNRPWXJSPGMQ-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.94
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 126786611) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID126786611
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCCNC1
InChIInChI=1S/C16H19ClN4O.ClH/c17-14-5-3-12(4-6-14)10-21-11-15(9-19-21)20-16(22)13-2-1-7-18-8-13;/h3-6,9,11,13,18H,1-2,7-8,10H2,(H,20,22);1H
InChIKeyUDDNRPWXJSPGMQ-UHFFFAOYSA-N
XLogP2.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride 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-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 19411726
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81139176

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride (CID 126786611) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCCNC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is UDDNRPWXJSPGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.ClH/c17-14-5-3-12(4-6-14)10-21-11-15(9-19-21)20-16(22)13-2-1-7-18-8-13;/h3-6,9,11,13,18H,1-2,7-8,10H2,(H,20,22);1H.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 126786611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).