[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol

C7H9F3N2O — CID 59196731

IUPAC[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2O/c1-4-5(3-13)6(7(8,9)10)11-12(4)2/h13H,3H2,1-2H3
InChIKeyYKJRYZDHSNNEAH-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.24
Rot. Bonds1

About [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 59196731) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID59196731
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2O/c1-4-5(3-13)6(7(8,9)10)11-12(4)2/h13H,3H2,1-2H3
InChIKeyYKJRYZDHSNNEAH-UHFFFAOYSA-N
XLogP1.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine
CID 155082616
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 86629852
2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 83930186
3-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-(trifluoromethyl)pyrimidin-4-one
CID 103596190
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfonic acid;hydrochloride
CID 174268218
ethyl 4-amino-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 125041878
1,5-dimethyl-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 70851916
4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 85151240
4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 85100558
[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82482177

Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 59196731) is [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is Cc1c(CO)c(C(F)(F)F)nn1C.
What is the InChIKey of [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is YKJRYZDHSNNEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-5(3-13)6(7(8,9)10)11-12(4)2/h13H,3H2,1-2H3.
What are the key properties of [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 194.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 59196731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).