1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H22ClN5O2 — CID 55876833

IUPAC1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)CC2)nc1
InChIInChI=1S/C22H22ClN5O2/c1-15-5-6-20(24-12-15)26-21(29)16-7-9-27(10-8-16)22(30)17-13-25-28(14-17)19-4-2-3-18(23)11-19/h2-6,11-14,16H,7-10H2,1H3,(H,24,26,29)
InChIKeyHBYGEBUCLWCGHD-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.72
Rot. Bonds4

About 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55876833) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55876833
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)CC2)nc1
InChIInChI=1S/C22H22ClN5O2/c1-15-5-6-20(24-12-15)26-21(29)16-7-9-27(10-8-16)22(30)17-13-25-28(14-17)19-4-2-3-18(23)11-19/h2-6,11-14,16H,7-10H2,1H3,(H,24,26,29)
InChIKeyHBYGEBUCLWCGHD-UHFFFAOYSA-N
XLogP3.72
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chlorophenyl)pyrazol-4-yl]methanone
CID 119412281
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
N-(5-methyl-2-pyridinyl)-1-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperidine-4-carboxamide
CID 51959947
1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55872180
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87007164
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684827
[1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579544

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55876833) is 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)CC2)nc1.
What is the InChIKey of 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is HBYGEBUCLWCGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-15-5-6-20(24-12-15)26-21(29)16-7-9-27(10-8-16)22(30)17-13-25-28(14-17)19-4-2-3-18(23)11-19/h2-6,11-14,16H,7-10H2,1H3,(H,24,26,29).
What are the key properties of 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55876833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).