2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C7H9F2N3O — CID 107168164

IUPAC2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)F)c1cn[nH]c1
InChIInChI=1S/C7H9F2N3O/c1-4(5-2-10-11-3-5)12-7(13)6(8)9/h2-4,6H,1H3,(H,10,11)(H,12,13)
InChIKeyONPKTIJOPUBKQN-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.85
Rot. Bonds3

About 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 107168164) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID107168164
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)F)c1cn[nH]c1
InChIInChI=1S/C7H9F2N3O/c1-4(5-2-10-11-3-5)12-7(13)6(8)9/h2-4,6H,1H3,(H,10,11)(H,12,13)
InChIKeyONPKTIJOPUBKQN-UHFFFAOYSA-N
XLogP0.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
1-butyl-3-[(1S)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 97098545
N-ethyl-N'-[2-(1H-pyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)urea
CID 119073298
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2-fluoro-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 176960189
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61004307
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61021666

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 107168164) is 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)C(F)F)c1cn[nH]c1.
What is the InChIKey of 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is ONPKTIJOPUBKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-4(5-2-10-11-3-5)12-7(13)6(8)9/h2-4,6H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2,2-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 189.17 g/mol, XLogP of 0.85, 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-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 107168164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).