2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

C19H15F2N3O — CID 134589161

IUPAC2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccccc2)CC1(F)F
InChIInChI=1S/C19H15F2N3O/c20-19(21)13-18(19,14-7-3-1-4-8-14)17(25)22-16-11-12-24(23-16)15-9-5-2-6-10-15/h1-12H,13H2,(H,22,23,25)
InChIKeyLTHRPAUWMGWLEQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.79
Rot. Bonds4

About 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 134589161) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID134589161
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccccc2)CC1(F)F
InChIInChI=1S/C19H15F2N3O/c20-19(21)13-18(19,14-7-3-1-4-8-14)17(25)22-16-11-12-24(23-16)15-9-5-2-6-10-15/h1-12H,13H2,(H,22,23,25)
InChIKeyLTHRPAUWMGWLEQ-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Apinocaltamide
CID 118560618
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074
Gsk-5498A
CID 46945384
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
N-[1-[(4-cyano-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560191
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560322
N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560356
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560466

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 134589161) is 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccccc2)CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is LTHRPAUWMGWLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-19(21)13-18(19,14-7-3-1-4-8-14)17(25)22-16-11-12-24(23-16)15-9-5-2-6-10-15/h1-12H,13H2,(H,22,23,25).
What are the key properties of 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134589161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).