1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C22H17F2N5O2 — CID 55777432

IUPAC1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)no1
InChIInChI=1S/C22H17F2N5O2/c1-12-25-21(28-31-12)14-5-2-3-7-18(14)26-22(30)20-15-6-4-8-19(15)29(27-20)13-9-10-16(23)17(24)11-13/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,26,30)
InChIKeyFYKGZXKWPGUFQF-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.25
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55777432) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55777432
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)no1
InChIInChI=1S/C22H17F2N5O2/c1-12-25-21(28-31-12)14-5-2-3-7-18(14)26-22(30)20-15-6-4-8-19(15)29(27-20)13-9-10-16(23)17(24)11-13/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,26,30)
InChIKeyFYKGZXKWPGUFQF-UHFFFAOYSA-N
XLogP4.25
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55777466
N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55784533
1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55801148
1-(3,4-difluorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55771564
1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47865715
1-(3,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 87043737
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(1,3-benzodioxol-5-yl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46487658
1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55910672

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55777432) is 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)no1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FYKGZXKWPGUFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-12-25-21(28-31-12)14-5-2-3-7-18(14)26-22(30)20-15-6-4-8-19(15)29(27-20)13-9-10-16(23)17(24)11-13/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,26,30).
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55777432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).