2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide

C6H7F2N3O — CID 103514076

IUPAC2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)C(F)F
InChIInChI=1S/C6H7F2N3O/c1-3-2-9-11-5(3)10-6(12)4(7)8/h2,4H,1H3,(H2,9,10,11,12)
InChIKeyOPGAWLSQJOPADU-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.92
Rot. Bonds2

About 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide

2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide (PubChem CID 103514076) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide
PubChem CID103514076
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)C(F)F
InChIInChI=1S/C6H7F2N3O/c1-3-2-9-11-5(3)10-6(12)4(7)8/h2,4H,1H3,(H2,9,10,11,12)
InChIKeyOPGAWLSQJOPADU-UHFFFAOYSA-N
XLogP0.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)acetamide
CID 353942
3-Acetylaminopyrazole
CID 2777527
2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide
CID 61394305
N-(4-Bromo-1H-pyrazol-3-yl)acetamide
CID 57418483
(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 164642746
N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
CID 121254681
N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]acetamide
CID 141044663
4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
CID 166703183
2,3,3-trifluoro-2-methyl-N-(1H-pyrazol-5-yl)propanamide
CID 173552076
N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide
CID 174870762
5-Acetamido-1H-pyrazole-4-carboxamide
CID 309068
3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide
CID 61393086

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide (CID 103514076) is 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide is Cc1cn[nH]c1NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is OPGAWLSQJOPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-3-2-9-11-5(3)10-6(12)4(7)8/h2,4H,1H3,(H2,9,10,11,12).
What are the key properties of 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 175.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-methyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 103514076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).