1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide

C21H22ClN5O2 — CID 135752976

IUPAC1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C21H22ClN5O2/c1-13-12-18(28)25-20(23-13)27-17(11-14(2)26-27)24-19(29)21(9-3-4-10-21)15-5-7-16(22)8-6-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,29)(H,23,25,28)
InChIKeyAHSBLTGXIHFFGO-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 135752976) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide
PubChem CID135752976
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C21H22ClN5O2/c1-13-12-18(28)25-20(23-13)27-17(11-14(2)26-27)24-19(29)21(9-3-4-10-21)15-5-7-16(22)8-6-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,29)(H,23,25,28)
InChIKeyAHSBLTGXIHFFGO-UHFFFAOYSA-N
XLogP3.68
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
3-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 11234162
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 11046825
N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-2-phenyl-acetamide
CID 11056043
2-(3-(3-tert-butyl-5-(3-(4-chlorophenyl)ureido)-1H-pyrazol-1-yl)phenyl)acetamide
CID 21867334
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-methylbenzamide
CID 135753056
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 135753057
N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 135753074
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135753076
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide (CID 135752976) is 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide is Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide?
The InChIKey is AHSBLTGXIHFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-13-12-18(28)25-20(23-13)27-17(11-14(2)26-27)24-19(29)21(9-3-4-10-21)15-5-7-16(22)8-6-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,29)(H,23,25,28).
What are the key properties of 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 135752976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).