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

C23H25N5O3 — CID 137049125

IUPAC2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(Oc3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H25N5O3/c1-15-19(14-24-28(15)23-25-20-9-5-8-18(20)21(29)26-23)22(30)27-12-10-17(11-13-27)31-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,25,26,29)
InChIKeyOGKDZEDPWAWDKF-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.44
Rot. Bonds4

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

2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049125) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049125
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(Oc3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H25N5O3/c1-15-19(14-24-28(15)23-25-20-9-5-8-18(20)21(29)26-23)22(30)27-12-10-17(11-13-27)31-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,25,26,29)
InChIKeyOGKDZEDPWAWDKF-UHFFFAOYSA-N
XLogP2.44
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenethyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081197
1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035924
N-(furan-2-ylmethyl)-5-methyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035927
N-(2-methoxyphenyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081199
2-[5-Methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049095
2-[5-Methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049096
2-[4-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049121
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-N-propan-2-ylpyrazole-4-carboxamide
CID 137049139
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-Methoxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049214
5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxamide
CID 136081193

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049125) is 2-[5-methyl-4-(4-phenoxypiperidine-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-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(Oc3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is OGKDZEDPWAWDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-19(14-24-28(15)23-25-20-9-5-8-18(20)21(29)26-23)22(30)27-12-10-17(11-13-27)31-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,25,26,29).
What are the key properties of 2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 419.49 g/mol, XLogP of 2.44, 4 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-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).