1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide

C19H25ClN4O — CID 120557331

IUPAC1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CCNCC2C)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O/c1-12(2)18-16(19(25)23-17-8-9-21-10-13(17)3)11-22-24(18)15-6-4-14(20)5-7-15/h4-7,11-13,17,21H,8-10H2,1-3H3,(H,23,25)
InChIKeyKUMUGLZZLHFAEV-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 120557331) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID120557331
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CCNCC2C)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O/c1-12(2)18-16(19(25)23-17-8-9-21-10-13(17)3)11-22-24(18)15-6-4-14(20)5-7-15/h4-7,11-13,17,21H,8-10H2,1-3H3,(H,23,25)
InChIKeyKUMUGLZZLHFAEV-UHFFFAOYSA-N
XLogP3.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119556429
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120554239
3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120558047
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide (CID 120557331) is 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NC2CCNCC2C)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KUMUGLZZLHFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-12(2)18-16(19(25)23-17-8-9-21-10-13(17)3)11-22-24(18)15-6-4-14(20)5-7-15/h4-7,11-13,17,21H,8-10H2,1-3H3,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 120557331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).