4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide

C20H22N6O — CID 166238411

IUPAC4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C20H22N6O/c1-15-14-26(16-5-3-2-4-6-16)24-19(15)20(27)23-18-8-7-17(13-22-18)25-11-9-21-10-12-25/h2-8,13-14,21H,9-12H2,1H3,(H,22,23,27)
InChIKeyBGMPCQVXBXIONK-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.24
Rot. Bonds4

About 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide

4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 166238411) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID166238411
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C20H22N6O/c1-15-14-26(16-5-3-2-4-6-16)24-19(15)20(27)23-18-8-7-17(13-22-18)25-11-9-21-10-12-25/h2-8,13-14,21H,9-12H2,1H3,(H,22,23,27)
InChIKeyBGMPCQVXBXIONK-UHFFFAOYSA-N
XLogP2.24
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 119044309
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-benzimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 172895056
2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494252
5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494211
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477
3-methyl-2-nitro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494185
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119494232
N-(5-piperazin-1-yl-2-pyridinyl)-2-pyrazol-1-ylacetamide
CID 119494481
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide (CID 166238411) is 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide is Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCNCC2)cn1.
What is the InChIKey of 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is BGMPCQVXBXIONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-14-26(16-5-3-2-4-6-16)24-19(15)20(27)23-18-8-7-17(13-22-18)25-11-9-21-10-12-25/h2-8,13-14,21H,9-12H2,1H3,(H,22,23,27).
What are the key properties of 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide?
4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166238411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).