2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide

C19H18ClN5O2 — CID 135551909

IUPAC2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C19H18ClN5O2/c1-11-9-16(22-17(26)10-12-5-7-13(20)8-6-12)25(24-11)19-21-15-4-2-3-14(15)18(27)23-19/h5-9H,2-4,10H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyKSKKJHVCWAOVTB-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide

2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135551909) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135551909
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C19H18ClN5O2/c1-11-9-16(22-17(26)10-12-5-7-13(20)8-6-12)25(24-11)19-21-15-4-2-3-14(15)18(27)23-19/h5-9H,2-4,10H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyKSKKJHVCWAOVTB-UHFFFAOYSA-N
XLogP2.59
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551814
4-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
CID 135551816
N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide
CID 136641398
3,5-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135551827
5-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-nitrobenzamide
CID 135551875
4-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 135551877
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 136641448
N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 137436427
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-4-nitrobenzamide
CID 135551873
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 136636543
2,5-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]furan-3-carboxamide
CID 136636545
N-cyclohexyl-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954203

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135551909) is 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is KSKKJHVCWAOVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-11-9-16(22-17(26)10-12-5-7-13(20)8-6-12)25(24-11)19-21-15-4-2-3-14(15)18(27)23-19/h5-9H,2-4,10H2,1H3,(H,22,26)(H,21,23,27).
What are the key properties of 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 383.84 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135551909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).