2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C22H24N6O2 — CID 137049032

IUPAC2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H24N6O2/c1-15-18(14-23-28(15)22-24-19-9-5-8-17(19)20(29)25-22)21(30)27-12-10-26(11-13-27)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,24,25,29)
InChIKeyBZOGQYXHPLSVEE-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.72
Rot. Bonds3

About 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049032) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049032
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H24N6O2/c1-15-18(14-23-28(15)22-24-19-9-5-8-17(19)20(29)25-22)21(30)27-12-10-26(11-13-27)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,24,25,29)
InChIKeyBZOGQYXHPLSVEE-UHFFFAOYSA-N
XLogP1.72
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 137049058
CID 137049058
N-(4-fluorobenzyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081191
N-2,4-difluorophenyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-4-pyrazolecarboxamide
CID 137010044
CID 137452722
CID 137452722
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
2-[4-(6-azaspiro[2.5]octane-6-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049031
2-[4-(5-azaspiro[2.5]octane-5-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049066
2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049067
2-[5-methyl-4-[3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049104
2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049301
2-[4-(4-cyclopropylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049315
2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049356

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049032) is 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is BZOGQYXHPLSVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15-18(14-23-28(15)22-24-19-9-5-8-17(19)20(29)25-22)21(30)27-12-10-26(11-13-27)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,24,25,29).
What are the key properties of 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 404.47 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).