2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C23H25N5O3 — CID 137049087

IUPAC2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(O)(c3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H25N5O3/c1-15-18(14-24-28(15)22-25-19-9-5-8-17(19)20(29)26-22)21(30)27-12-10-23(31,11-13-27)16-6-3-2-4-7-16/h2-4,6-7,14,31H,5,8-13H2,1H3,(H,25,26,29)
InChIKeyWLTJGMBUTJCVJJ-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.88
Rot. Bonds3

About 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049087) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049087
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(O)(c3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H25N5O3/c1-15-18(14-24-28(15)22-25-19-9-5-8-17(19)20(29)26-22)21(30)27-12-10-23(31,11-13-27)16-6-3-2-4-7-16/h2-4,6-7,14,31H,5,8-13H2,1H3,(H,25,26,29)
InChIKeyWLTJGMBUTJCVJJ-UHFFFAOYSA-N
XLogP1.88
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049068
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049076
2-[5-Methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049088
2-[5-Methyl-4-(3-phenylazetidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049129
2-[4-(4-Benzylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049136
N-benzyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 137049140
2-[5-Methyl-4-[2-methyl-2-(4-methylphenyl)morpholine-4-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049141
Benzyl 2-methyl-4-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperazine-1-carboxylate
CID 137049144
2-[4-(4-Hydroxy-2-methyl-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049159
1-[5-Methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 137049167
2-[5-Methyl-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049184
N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049087) is 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(O)(c3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is WLTJGMBUTJCVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-18(14-24-28(15)22-25-19-9-5-8-17(19)20(29)26-22)21(30)27-12-10-23(31,11-13-27)16-6-3-2-4-7-16/h2-4,6-7,14,31H,5,8-13H2,1H3,(H,25,26,29).
What are the key properties of 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 419.49 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).