1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H14F2N4O3 — CID 55773312

IUPAC1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C19H14F2N4O3/c20-15-9-8-13(10-16(15)21)24-17-3-1-2-14(17)18(23-24)19(26)22-11-4-6-12(7-5-11)25(27)28/h4-10H,1-3H2,(H,22,26)
InChIKeyHPLBDXAZXFAKCV-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.80
Rot. Bonds4

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

1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55773312) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55773312
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C19H14F2N4O3/c20-15-9-8-13(10-16(15)21)24-17-3-1-2-14(17)18(23-24)19(26)22-11-4-6-12(7-5-11)25(27)28/h4-10H,1-3H2,(H,22,26)
InChIKeyHPLBDXAZXFAKCV-UHFFFAOYSA-N
XLogP3.80
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55773312) is 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HPLBDXAZXFAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c20-15-9-8-13(10-16(15)21)24-17-3-1-2-14(17)18(23-24)19(26)22-11-4-6-12(7-5-11)25(27)28/h4-10H,1-3H2,(H,22,26).
What are the key properties of 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55773312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).