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

C23H26N6O2 — CID 137049246

IUPAC2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1ccccc1N1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1
InChIInChI=1S/C23H26N6O2/c1-15-6-3-4-9-20(15)27-10-12-28(13-11-27)22(31)18-14-24-29(16(18)2)23-25-19-8-5-7-17(19)21(30)26-23/h3-4,6,9,14H,5,7-8,10-13H2,1-2H3,(H,25,26,30)
InChIKeyHGEJRVJSNBMAAC-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.02
Rot. Bonds3

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

2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049246) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049246
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1ccccc1N1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1
InChIInChI=1S/C23H26N6O2/c1-15-6-3-4-9-20(15)27-10-12-28(13-11-27)22(31)18-14-24-29(16(18)2)23-25-19-8-5-7-17(19)21(30)26-23/h3-4,6,9,14H,5,7-8,10-13H2,1-2H3,(H,25,26,30)
InChIKeyHGEJRVJSNBMAAC-UHFFFAOYSA-N
XLogP2.02
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
4(1H)-Quinazolinone, 2-(1,5-dimethyl-1H-pyrazol-4-yl)-2,3-dihydro-3-hydroxy-
CID 4103501
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
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
CID 3239266
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
1-[1-(4-Oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 137049300
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
4-[4-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]piperazin-1-yl]benzonitrile
CID 137049381

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049246) is 2-[5-methyl-4-[4-(2-methylphenyl)piperazine-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-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1ccccc1N1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1.
What is the InChIKey of 2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is HGEJRVJSNBMAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-6-3-4-9-20(15)27-10-12-28(13-11-27)22(31)18-14-24-29(16(18)2)23-25-19-8-5-7-17(19)21(30)26-23/h3-4,6,9,14H,5,7-8,10-13H2,1-2H3,(H,25,26,30).
What are the key properties of 2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 418.50 g/mol, XLogP of 2.02, 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-(2-methylphenyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).