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

C21H16F2N4O2 — CID 166205663

IUPAC1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C1Cc2cc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)ccc2N1
InChIInChI=1S/C21H16F2N4O2/c22-15-6-5-13(10-16(15)23)27-18-3-1-2-14(18)20(26-27)21(29)24-12-4-7-17-11(8-12)9-19(28)25-17/h4-8,10H,1-3,9H2,(H,24,29)(H,25,28)
InChIKeyZMCPXAKQNPJYPR-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.39
Rot. Bonds3

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

1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 166205663) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID166205663
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C1Cc2cc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)ccc2N1
InChIInChI=1S/C21H16F2N4O2/c22-15-6-5-13(10-16(15)23)27-18-3-1-2-14(18)20(26-27)21(29)24-12-4-7-17-11(8-12)9-19(28)25-17/h4-8,10H,1-3,9H2,(H,24,29)(H,25,28)
InChIKeyZMCPXAKQNPJYPR-UHFFFAOYSA-N
XLogP3.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773312
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24610301
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
1-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55772236
1-(3,4-difluorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55771564
N-(3-aminopropyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119407715
1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55784529
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-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126781032

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 166205663) is 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C1Cc2cc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)ccc2N1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ZMCPXAKQNPJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-15-6-5-13(10-16(15)23)27-18-3-1-2-14(18)20(26-27)21(29)24-12-4-7-17-11(8-12)9-19(28)25-17/h4-8,10H,1-3,9H2,(H,24,29)(H,25,28).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 166205663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).