1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C22H21Cl2N5O2 — CID 55813120

IUPAC1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C22H21Cl2N5O2/c1-14-19(20(24)29(27-14)17-5-3-2-4-6-17)22(31)28-11-9-15(10-12-28)21(30)26-18-8-7-16(23)13-25-18/h2-8,13,15H,9-12H2,1H3,(H,25,26,30)
InChIKeyLZFHIALMGRXHPF-UHFFFAOYSA-N
MW458.35 g/mol
LogP4.37
Rot. Bonds4

About 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55813120) has the molecular formula C22H21Cl2N5O2 and a molecular weight of 458.35 g/mol. Its IUPAC name is 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55813120
Molecular FormulaC22H21Cl2N5O2
Molecular Weight458.35 g/mol
Exact Mass457.11
IUPAC Name1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C22H21Cl2N5O2/c1-14-19(20(24)29(27-14)17-5-3-2-4-6-17)22(31)28-11-9-15(10-12-28)21(30)26-18-8-7-16(23)13-25-18/h2-8,13,15H,9-12H2,1H3,(H,25,26,30)
InChIKeyLZFHIALMGRXHPF-UHFFFAOYSA-N
XLogP4.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 60593358
ethyl 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 4808931
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 55815704
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473179
N-[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 60591215
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55813120) is 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LZFHIALMGRXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O2/c1-14-19(20(24)29(27-14)17-5-3-2-4-6-17)22(31)28-11-9-15(10-12-28)21(30)26-18-8-7-16(23)13-25-18/h2-8,13,15H,9-12H2,1H3,(H,25,26,30).
What are the key properties of 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 458.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55813120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).