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

C22H21ClN4O2 — CID 60588958

IUPAC1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClN4O2/c23-17-10-8-15(9-11-17)20-19(14-27(25-20)18-6-2-1-3-7-18)22(29)26-12-4-5-16(13-26)21(24)28/h1-3,6-11,14,16H,4-5,12-13H2,(H2,24,28)
InChIKeyNEIVYJFIJRDGEI-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.53
Rot. Bonds4

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

1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 60588958) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID60588958
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClN4O2/c23-17-10-8-15(9-11-17)20-19(14-27(25-20)18-6-2-1-3-7-18)22(29)26-12-4-5-16(13-26)21(24)28/h1-3,6-11,14,16H,4-5,12-13H2,(H2,24,28)
InChIKeyNEIVYJFIJRDGEI-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

1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
CID 60589023
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 26456307
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 52525608
(4-benzhydrylpiperazin-1-yl)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanone
CID 4603079
cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 17430545
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
(Z)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 2299076
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 155492081

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide (CID 60588958) is 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is NEIVYJFIJRDGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-17-10-8-15(9-11-17)20-19(14-27(25-20)18-6-2-1-3-7-18)22(29)26-12-4-5-16(13-26)21(24)28/h1-3,6-11,14,16H,4-5,12-13H2,(H2,24,28).
What are the key properties of 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide?
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-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-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 60588958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).