[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone

C15H16ClN3O — CID 25342128

IUPAC[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-6-4-11(5-7-12)13-10-14(18-17-13)15(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,18)
InChIKeyXAWVIYLDVPPGJS-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.36
Rot. Bonds2

About [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 25342128) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID25342128
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-6-4-11(5-7-12)13-10-14(18-17-13)15(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,18)
InChIKeyXAWVIYLDVPPGJS-UHFFFAOYSA-N
XLogP3.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N'-(4-chlorobenzylidene)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6861960
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 940183
N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-1,2-dihydro-3-pyridinyl]-4-chlorobenzenecarboxamide
CID 1475595
3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 19509988
3-(2,4-dichlorophenyl)-N-isopropyl-1H-pyrazole-5-carboxamide
CID 19510029
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654661
3-(2,4-dichloro-5-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 24178141
3-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-1H-pyrazole-5-carboxamide
CID 24178178

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone (CID 25342128) is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCCCC1.
What is the InChIKey of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is XAWVIYLDVPPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-6-4-11(5-7-12)13-10-14(18-17-13)15(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,18).
What are the key properties of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone?
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 289.77 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25342128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).