3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C8H11F3N2O — CID 74890407

IUPAC3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCn1ncc(CCCO)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-13-7(8(9,10)11)6(5-12-13)3-2-4-14/h5,14H,2-4H2,1H3
InChIKeyJPXUGFNEJGUQSL-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.36
Rot. Bonds3

About 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 74890407) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID74890407
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCn1ncc(CCCO)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-13-7(8(9,10)11)6(5-12-13)3-2-4-14/h5,14H,2-4H2,1H3
InChIKeyJPXUGFNEJGUQSL-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-Cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 75484875
2-[1-Pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
4-Butyl-1-methyl-5-(trifluoromethyl)pyrazole
CID 23383473
2-(1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethanol
CID 118344007
2-[5-(1,1-Difluoroethyl)-4-methylpyrazol-1-yl]ethanol
CID 123231287
3-(Difluoromethyl)-1-methyl-4-propylpyrazole
CID 123641001
5-Ethyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
CID 139386011
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol
CID 141407051
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]heptane-1,3-diol
CID 141407053
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
CID 141407055
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]butane-1,3-diol
CID 141407056
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]hexane-1,3-diol
CID 141407057

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 74890407) is 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is Cn1ncc(CCCO)c1C(F)(F)F.
What is the InChIKey of 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is JPXUGFNEJGUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-13-7(8(9,10)11)6(5-12-13)3-2-4-14/h5,14H,2-4H2,1H3.
What are the key properties of 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 208.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 74890407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).