1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide

C22H21ClN4O2 — CID 60589023

IUPAC1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C22H21ClN4O2/c23-17-10-8-15(9-11-17)19-13-20(27(25-19)18-6-2-1-3-7-18)22(29)26-12-4-5-16(14-26)21(24)28/h1-3,6-11,13,16H,4-5,12,14H2,(H2,24,28)
InChIKeyOZQCOYQFFCCLEN-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.53
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide

1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 60589023) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID60589023
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C22H21ClN4O2/c23-17-10-8-15(9-11-17)19-13-20(27(25-19)18-6-2-1-3-7-18)22(29)26-12-4-5-16(14-26)21(24)28/h1-3,6-11,13,16H,4-5,12,14H2,(H2,24,28)
InChIKeyOZQCOYQFFCCLEN-UHFFFAOYSA-N
XLogP3.53
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46534378
ethyl 1-[1-(4-chlorophenyl)-3-phenylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42754580
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561078
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 60588958
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4242006
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
ethyl 1-[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42758468
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide
CID 169175708
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
ethyl 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42759372
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761815

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide (CID 60589023) is 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is OZQCOYQFFCCLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-17-10-8-15(9-11-17)19-13-20(27(25-19)18-6-2-1-3-7-18)22(29)26-12-4-5-16(14-26)21(24)28/h1-3,6-11,13,16H,4-5,12,14H2,(H2,24,28).
What are the key properties of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide?
1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 60589023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).