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

C22H23N5O3 — CID 137049096

IUPAC2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(Oc3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H23N5O3/c1-14-18(12-23-27(14)22-24-19-9-5-8-17(19)20(28)25-22)21(29)26-11-10-16(13-26)30-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,24,25,28)
InChIKeyWYFJVLLLYDVVCD-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.05
Rot. Bonds4

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

2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049096) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049096
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(Oc3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C22H23N5O3/c1-14-18(12-23-27(14)22-24-19-9-5-8-17(19)20(28)25-22)21(29)26-11-10-16(13-26)30-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,24,25,28)
InChIKeyWYFJVLLLYDVVCD-UHFFFAOYSA-N
XLogP2.05
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.05
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-phenoxypiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049095
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
Benzyl 1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 137049279
(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
(13E,14E)-6-methyl-17-(methylamino)-4-oxa-2,7-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(1,2)-benzenacyclooctaphan-8-one
CID 155153458
(13E,14E)-17-(methylamino)-4-oxa-2,7-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(1,2)-benzenacyclooctaphan-8-one
CID 164782532

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049096) is 2-[5-methyl-4-(3-phenoxypyrrolidine-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-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(Oc3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is WYFJVLLLYDVVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14-18(12-23-27(14)22-24-19-9-5-8-17(19)20(28)25-22)21(29)26-11-10-16(13-26)30-15-6-3-2-4-7-15/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-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-(3-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 405.46 g/mol, XLogP of 2.05, 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-phenoxypyrrolidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).