2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone

C13H11F3N2O3 — CID 150278634

IUPAC2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone
SMILESCOc1ccc(-n2cc(CO)c(C(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N2O3/c1-21-10-4-2-9(3-5-10)18-6-8(7-19)11(17-18)12(20)13(14,15)16/h2-6,19H,7H2,1H3
InChIKeyGFCKUUJKCRBIJL-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.12
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone

2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone (PubChem CID 150278634) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone
PubChem CID150278634
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone
SMILESCOc1ccc(-n2cc(CO)c(C(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11F3N2O3/c1-21-10-4-2-9(3-5-10)18-6-8(7-19)11(17-18)12(20)13(14,15)16/h2-6,19H,7H2,1H3
InChIKeyGFCKUUJKCRBIJL-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 138506131
1-(4-ethoxyphenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82133213
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174415280
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871952
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
4-[1-(4-carboxyphenyl)-4-[(4-methoxyanilino)methyl]pyrazol-3-yl]benzoic acid
CID 155808884
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 66778583
3-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 86280199

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone (CID 150278634) is 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone is COc1ccc(-n2cc(CO)c(C(=O)C(F)(F)F)n2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone?
The InChIKey is GFCKUUJKCRBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-21-10-4-2-9(3-5-10)18-6-8(7-19)11(17-18)12(20)13(14,15)16/h2-6,19H,7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone?
2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone has a molecular weight of 300.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 150278634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).