N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide

C16H18ClFN4O — CID 119321823

IUPACN-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)C1CCCNC1
InChIInChI=1S/C16H18ClFN4O/c17-13-4-3-11(8-14(13)18)10-22-15(5-7-20-22)21-16(23)12-2-1-6-19-9-12/h3-5,7-8,12,19H,1-2,6,9-10H2,(H,21,23)
InChIKeyNHTQZNKFMFZBSI-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.66
Rot. Bonds4

About N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide

N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 119321823) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
PubChem CID119321823
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC NameN-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)C1CCCNC1
InChIInChI=1S/C16H18ClFN4O/c17-13-4-3-11(8-14(13)18)10-22-15(5-7-20-22)21-16(23)12-2-1-6-19-9-12/h3-5,7-8,12,19H,1-2,6,9-10H2,(H,21,23)
InChIKeyNHTQZNKFMFZBSI-UHFFFAOYSA-N
XLogP2.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632019
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119274820
trans-(1R,2R)-2-[[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 138003056
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
CID 119286994
(2S,5R)-5-(aminomethyl)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120792795
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119780523
(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide
CID 124697076
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938989
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide (CID 119321823) is N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)C1CCCNC1.
What is the InChIKey of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is NHTQZNKFMFZBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c17-13-4-3-11(8-14(13)18)10-22-15(5-7-20-22)21-16(23)12-2-1-6-19-9-12/h3-5,7-8,12,19H,1-2,6,9-10H2,(H,21,23).
What are the key properties of N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide?
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 119321823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).