N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C15H17ClN4O — CID 60928453

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)C1CCNCC1
InChIInChI=1S/C15H17ClN4O/c16-12-2-3-14(20-9-1-6-18-20)13(10-12)19-15(21)11-4-7-17-8-5-11/h1-3,6,9-11,17H,4-5,7-8H2,(H,19,21)
InChIKeyWBWPGUZDGCOCAC-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.46
Rot. Bonds3

About N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide

N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 60928453) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID60928453
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)C1CCNCC1
InChIInChI=1S/C15H17ClN4O/c16-12-2-3-14(20-9-1-6-18-20)13(10-12)19-15(21)11-4-7-17-8-5-11/h1-3,6,9-11,17H,4-5,7-8H2,(H,19,21)
InChIKeyWBWPGUZDGCOCAC-UHFFFAOYSA-N
XLogP2.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635
(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104913192
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide
CID 81119792
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
CID 54863788
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 60928453) is N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cccn1)C1CCNCC1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is WBWPGUZDGCOCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-2-3-14(20-9-1-6-18-20)13(10-12)19-15(21)11-4-7-17-8-5-11/h1-3,6,9-11,17H,4-5,7-8H2,(H,19,21).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 60928453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).