2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide

C21H26ClN5O2 — CID 58778256

IUPAC2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2=C(C(=O)NC(C)C)CCCC2C)n(-c2ncccc2Cl)n1
InChIInChI=1S/C21H26ClN5O2/c1-12(2)24-20(28)15-8-5-7-13(3)18(15)25-21(29)17-11-14(4)26-27(17)19-16(22)9-6-10-23-19/h6,9-13H,5,7-8H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyMWXAKEZIQLCXEH-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide

2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide (PubChem CID 58778256) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide
PubChem CID58778256
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2=C(C(=O)NC(C)C)CCCC2C)n(-c2ncccc2Cl)n1
InChIInChI=1S/C21H26ClN5O2/c1-12(2)24-20(28)15-8-5-7-13(3)18(15)25-21(29)17-11-14(4)26-27(17)19-16(22)9-6-10-23-19/h6,9-13H,5,7-8H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyMWXAKEZIQLCXEH-UHFFFAOYSA-N
XLogP3.56
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356
N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202262
3-bromo-N-[6-chloro-3-fluoro-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 59549436
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(1,1-dioxothietan-3-yl)oxypyrazole-5-carboxamide
CID 155756181
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylsulfanyl)pyrazole-5-carboxamide
CID 150730200
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 11613439
N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59549409
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202285
4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 59022709
methyl 2-[[2-[[2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylbenzoyl]amino]acetate
CID 58202388

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide (CID 58778256) is 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2=C(C(=O)NC(C)C)CCCC2C)n(-c2ncccc2Cl)n1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide?
The InChIKey is MWXAKEZIQLCXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-12(2)24-20(28)15-8-5-7-13(3)18(15)25-21(29)17-11-14(4)26-27(17)19-16(22)9-6-10-23-19/h6,9-13H,5,7-8H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide?
2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-5-methyl-N-[6-methyl-2-(propan-2-ylcarbamoyl)cyclohexen-1-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 58778256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).