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

C23H25N5O3 — CID 137049095

IUPAC2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCC(Oc3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H25N5O3/c1-15-19(13-24-28(15)23-25-20-11-5-10-18(20)21(29)26-23)22(30)27-12-6-9-17(14-27)31-16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14H2,1H3,(H,25,26,29)
InChIKeyUZIGYAFOAARUMC-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.44
Rot. Bonds4

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

2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049095) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049095
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCC(Oc3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H25N5O3/c1-15-19(13-24-28(15)23-25-20-11-5-10-18(20)21(29)26-23)22(30)27-12-6-9-17(14-27)31-16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14H2,1H3,(H,25,26,29)
InChIKeyUZIGYAFOAARUMC-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

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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-ethyl-6-oxo-1H-pyrimidin-2-yl)-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 136035919
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-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
2-[5-Methyl-4-(4-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049125
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
2-[4-(4-Methoxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049214
(13E,14E)-5-methyl-17-(methylamino)-4-oxa-2,7-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(1,2)-benzenacyclooctaphan-8-one
CID 155153456

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049095) is 2-[5-methyl-4-(3-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-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCCC(Oc3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is UZIGYAFOAARUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-19(13-24-28(15)23-25-20-11-5-10-18(20)21(29)26-23)22(30)27-12-6-9-17(14-27)31-16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14H2,1H3,(H,25,26,29).
What are the key properties of 2-[5-methyl-4-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-(3-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-(3-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).