N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide

C8H10F3N3O — CID 19290654

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCn1cc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c1-2-14-5-6(4-13-14)3-12-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyYRRVBZSFPCNUOP-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.08
Rot. Bonds3

About N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 19290654) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID19290654
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCn1cc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c1-2-14-5-6(4-13-14)3-12-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyYRRVBZSFPCNUOP-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 60146845
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-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylmethanamine;hydrochloride
CID 177800615
3-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 53595702
3-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 72142047
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95329675

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide (CID 19290654) is N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide is CCn1cc(CNC(=O)C(F)(F)F)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is YRRVBZSFPCNUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-14-5-6(4-13-14)3-12-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,15).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 221.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19290654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).