2-[1-(difluoromethyl)pyrazol-4-yl]acetamide

C6H7F2N3O — CID 172536279

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]acetamide
SMILESNC(=O)Cc1cnn(C(F)F)c1
InChIInChI=1S/C6H7F2N3O/c7-6(8)11-3-4(2-10-11)1-5(9)12/h2-3,6H,1H2,(H2,9,12)
InChIKeyPXBUIVQMPCEADA-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.31
Rot. Bonds3

About 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide

2-[1-(difluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 172536279) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]acetamide
PubChem CID172536279
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]acetamide
SMILESNC(=O)Cc1cnn(C(F)F)c1
InChIInChI=1S/C6H7F2N3O/c7-6(8)11-3-4(2-10-11)1-5(9)12/h2-3,6H,1H2,(H2,9,12)
InChIKeyPXBUIVQMPCEADA-UHFFFAOYSA-N
XLogP0.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 95627539
2-[1-(Fluoromethyl)pyrazol-4-yl]acetamide
CID 145451619
4-(Difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 153732221
2-(3-Fluoro-1-methylpyrazol-4-yl)acetamide
CID 155347375
2-(5-Fluoro-1-methylpyrazol-4-yl)acetamide
CID 155347394
Ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
CID 166474068
2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide
CID 167421298
2,2-Difluoro-2-(1-methylpyrazol-4-yl)acetaldehyde
CID 176371327
2-[1-(Difluoromethyl)pyrazol-4-yl]propanamide
CID 178516200
N-(3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56790517
2-Amino-2-(1-methylpyrazol-4-yl)acetamide
CID 60795441
2-(1-Methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998173

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide (CID 172536279) is 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide is NC(=O)Cc1cnn(C(F)F)c1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is PXBUIVQMPCEADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-6(8)11-3-4(2-10-11)1-5(9)12/h2-3,6H,1H2,(H2,9,12).
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide?
2-[1-(difluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 175.14 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 172536279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).