2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide

C6H7F2N3O — CID 103514034

IUPAC2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ccn[nH]1)C(F)F
InChIInChI=1S/C6H7F2N3O/c7-5(8)6(12)9-3-4-1-2-10-11-4/h1-2,5H,3H2,(H,9,12)(H,10,11)
InChIKeyYKGGCCZLKDZEDG-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.29
Rot. Bonds3

About 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide

2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 103514034) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID103514034
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ccn[nH]1)C(F)F
InChIInChI=1S/C6H7F2N3O/c7-5(8)6(12)9-3-4-1-2-10-11-4/h1-2,5H,3H2,(H,9,12)(H,10,11)
InChIKeyYKGGCCZLKDZEDG-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

3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
CID 61285108
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60975273
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61284119
2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 47286046
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 103514034) is 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide is O=C(NCc1ccn[nH]1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is YKGGCCZLKDZEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-5(8)6(12)9-3-4-1-2-10-11-4/h1-2,5H,3H2,(H,9,12)(H,10,11).
What are the key properties of 2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide?
2,2-difluoro-N-(1H-pyrazol-5-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-5-ylmethyl)acetamide is sourced from PubChem (CID 103514034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).