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

C18H23N5O2 — CID 135551798

IUPACN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C18H23N5O2/c1-11-10-15(20-16(24)12-6-3-2-4-7-12)23(22-11)18-19-14-9-5-8-13(14)17(25)21-18/h10,12H,2-9H2,1H3,(H,20,24)(H,19,21,25)
InChIKeyLZCQPWLGNHCTCP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.27
Rot. Bonds3

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

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 135551798) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID135551798
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C18H23N5O2/c1-11-10-15(20-16(24)12-6-3-2-4-7-12)23(22-11)18-19-14-9-5-8-13(14)17(25)21-18/h10,12H,2-9H2,1H3,(H,20,24)(H,19,21,25)
InChIKeyLZCQPWLGNHCTCP-UHFFFAOYSA-N
XLogP2.27
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551800
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 135857471
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroqui
CID 136253213
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
N-(3-cyclopropyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 135892053
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
N-[1-(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-methyl-5-pyrazolyl]cyclopropanecarboxamide
CID 135753036
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 135752898
N1-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)-N2-(3,3,5-trimethylcyclohexyl)oxalamide
CID 135954204
2-methoxy-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551807
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135892136

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide (CID 135551798) is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide is Cc1cc(NC(=O)C2CCCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is LZCQPWLGNHCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-10-15(20-16(24)12-6-3-2-4-7-12)23(22-11)18-19-14-9-5-8-13(14)17(25)21-18/h10,12H,2-9H2,1H3,(H,20,24)(H,19,21,25).
What are the key properties of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide?
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 135551798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).