2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C7H8F3N3O — CID 19292380

IUPAC2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C7H8F3N3O/c1-13-4-5(3-12-13)2-11-6(14)7(8,9)10/h3-4H,2H2,1H3,(H,11,14)
InChIKeyNUHRITQWGDFBRB-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.60
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 19292380) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID19292380
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C7H8F3N3O/c1-13-4-5(3-12-13)2-11-6(14)7(8,9)10/h3-4H,2H2,1H3,(H,11,14)
InChIKeyNUHRITQWGDFBRB-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 60146845
(1-(2-fluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 80695799
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
1-(4-Methyl-1H-pyrazol-1-yl)ethanone
CID 57753203
methyl({[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl})amine
CID 62729927
2-methyl-3-(4-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 64176280
1-[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]methanamine hydrochloride
CID 90486265
1-(1-(difluoromethyl)-1H-pyrazol-4-yl)methanamine hydrochloride
CID 122240379
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylmethanamine;hydrochloride
CID 177800615

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 19292380) is 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cn1cc(CNC(=O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is NUHRITQWGDFBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13-4-5(3-12-13)2-11-6(14)7(8,9)10/h3-4H,2H2,1H3,(H,11,14).
What are the key properties of 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 207.16 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19292380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).