3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide

C15H17ClN4O — CID 119424765

IUPAC3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCNC1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H17ClN4O/c16-11-5-3-10(4-6-11)13-8-14(20-19-13)15(21)18-12-2-1-7-17-9-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,21)(H,19,20)
InChIKeyDRAGVADEOPPGDF-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.21
Rot. Bonds3

About 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 119424765) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID119424765
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCNC1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H17ClN4O/c16-11-5-3-10(4-6-11)13-8-14(20-19-13)15(21)18-12-2-1-7-17-9-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,21)(H,19,20)
InChIKeyDRAGVADEOPPGDF-UHFFFAOYSA-N
XLogP2.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(1,1-dioxothian-3-yl)-1H-pyrazole-5-carboxamide
CID 127319581
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830
4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154904834
3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 119425159
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
3-(4-ethylphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 154897272
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide (CID 119424765) is 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide is O=C(NC1CCCNC1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DRAGVADEOPPGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-11-5-3-10(4-6-11)13-8-14(20-19-13)15(21)18-12-2-1-7-17-9-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,21)(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119424765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).