2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide

C6H7F2N3O — CID 103514032

IUPAC2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(NCc1cn[nH]c1)C(F)F
InChIInChI=1S/C6H7F2N3O/c7-5(8)6(12)9-1-4-2-10-11-3-4/h2-3,5H,1H2,(H,9,12)(H,10,11)
InChIKeyUYEXKPICNDLJTE-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.29
Rot. Bonds3

About 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide

2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 103514032) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID103514032
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(NCc1cn[nH]c1)C(F)F
InChIInChI=1S/C6H7F2N3O/c7-5(8)6(12)9-1-4-2-10-11-3-4/h2-3,5H,1H2,(H,9,12)(H,10,11)
InChIKeyUYEXKPICNDLJTE-UHFFFAOYSA-N
XLogP0.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 62677107
N-(1H-pyrazol-4-ylmethyl)but-2-enamide
CID 76864423
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 103514032) is 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide is O=C(NCc1cn[nH]c1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is UYEXKPICNDLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-5(8)6(12)9-1-4-2-10-11-3-4/h2-3,5H,1H2,(H,9,12)(H,10,11).
What are the key properties of 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide?
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 175.14 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 103514032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).