3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide

C11H9F2N3O — CID 68848962

IUPAC3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1ccc(C(F)F)n1
InChIInChI=1S/C11H9F2N3O/c12-10(13)9-6-7-16(15-9)11(17)14-8-4-2-1-3-5-8/h1-7,10H,(H,14,17)
InChIKeyBDIWFNXFXWCSAE-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.90
Rot. Bonds2

About 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide

3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide (PubChem CID 68848962) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide
PubChem CID68848962
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1ccc(C(F)F)n1
InChIInChI=1S/C11H9F2N3O/c12-10(13)9-6-7-16(15-9)11(17)14-8-4-2-1-3-5-8/h1-7,10H,(H,14,17)
InChIKeyBDIWFNXFXWCSAE-UHFFFAOYSA-N
XLogP2.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812808
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
3,5-Dimethyl-pyrazole-1-carboxylic acid phenylamide
CID 301738
N-[2-(1-phenylpyrazol-3-yl)ethyl]azetidine-1-carboxamide
CID 53594758
4-(3-(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CID 688686
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 2809205
1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
N-(2,4-difluorophenyl)-N'-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
CID 2956297
1-(1-Methylpyrazol-3-yl)-3-phenylurea
CID 2807714
2,2,2-trifluoro-N-((1-phenyl-1H-pyrazol-3-yl)carbamoyl)acetamide
CID 1540563
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9416216

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide (CID 68848962) is 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide is O=C(Nc1ccccc1)n1ccc(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide?
The InChIKey is BDIWFNXFXWCSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-10(13)9-6-7-16(15-9)11(17)14-8-4-2-1-3-5-8/h1-7,10H,(H,14,17).
What are the key properties of 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide?
3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide has a molecular weight of 237.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 68848962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).