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

C22H23N5O2 — CID 137049184

IUPAC2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H23N5O2/c1-14-18(21(29)26-11-10-16(13-26)15-6-3-2-4-7-15)12-23-27(14)22-24-19-9-5-8-17(19)20(28)25-22/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,24,25,28)
InChIKeyGOMAAJAFGSHVNE-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.38
Rot. Bonds3

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

2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049184) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049184
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H23N5O2/c1-14-18(21(29)26-11-10-16(13-26)15-6-3-2-4-7-15)12-23-27(14)22-24-19-9-5-8-17(19)20(28)25-22/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,24,25,28)
InChIKeyGOMAAJAFGSHVNE-UHFFFAOYSA-N
XLogP2.38
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135875901
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
1-[1-(4-Oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 137049300
2-[4-[3-(3,4-difluorophenyl)azetidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049307
2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 162674655
2-methyl-N-[2-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-3-yl]benzamide
CID 1067716
US9598423, Example 96
CID 118069201
5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one
CID 126750701
4-[1-[(1R)-1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)ethyl]pyrrolidin-3-yl]-N,N-dimethylbenzamide
CID 135873818
N-cyclobutyl-3-[1-[(1R)-1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)ethyl]pyrrolidin-3-yl]benzamide
CID 135873823

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049184) is 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(c3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is GOMAAJAFGSHVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-18(21(29)26-11-10-16(13-26)15-6-3-2-4-7-15)12-23-27(14)22-24-19-9-5-8-17(19)20(28)25-22/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,24,25,28).
What are the key properties of 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 389.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).