1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H23FN4O3 — CID 42396765

IUPAC1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1N1CCCC1=O
InChIInChI=1S/C24H23FN4O3/c1-32-21-14-16(9-12-20(21)28-13-3-6-22(28)30)26-24(31)23-18-4-2-5-19(18)29(27-23)17-10-7-15(25)8-11-17/h7-12,14H,2-6,13H2,1H3,(H,26,31)
InChIKeyUZGJKYWDIRVEBI-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 42396765) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID42396765
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1N1CCCC1=O
InChIInChI=1S/C24H23FN4O3/c1-32-21-14-16(9-12-20(21)28-13-3-6-22(28)30)26-24(31)23-18-4-2-5-19(18)29(27-23)17-10-7-15(25)8-11-17/h7-12,14H,2-6,13H2,1H3,(H,26,31)
InChIKeyUZGJKYWDIRVEBI-UHFFFAOYSA-N
XLogP3.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16591333
5-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 29325483
N-(5-acetamido-2-methoxyphenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24608361
1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55560730
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55657030
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 42396765) is 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1N1CCCC1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is UZGJKYWDIRVEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-32-21-14-16(9-12-20(21)28-13-3-6-22(28)30)26-24(31)23-18-4-2-5-19(18)29(27-23)17-10-7-15(25)8-11-17/h7-12,14H,2-6,13H2,1H3,(H,26,31).
What are the key properties of 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 42396765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).