[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol

C7H9F3N2O — CID 64565126

IUPAC[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)1-2-12-4-6(5-13)3-11-12/h3-4,13H,1-2,5H2
InChIKeyHRJYLIFLSUEMHN-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.33
Rot. Bonds3

About [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol

[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol (PubChem CID 64565126) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
PubChem CID64565126
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)1-2-12-4-6(5-13)3-11-12/h3-4,13H,1-2,5H2
InChIKeyHRJYLIFLSUEMHN-UHFFFAOYSA-N
XLogP1.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloroethyl)pyrazol-4-yl]methanol
CID 4711793
N-[[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 64567805
[1-(2-ethoxyethyl)pyrazol-4-yl]methanol
CID 62731815
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
CID 135377882
4-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]aniline
CID 64554836
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 113327318
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
CID 103412880
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
CID 55109077
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
4-bromo-1-(4,4,4-trifluorobutyl)pyrazole
CID 115517822

Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol (CID 64565126) is [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol is OCc1cnn(CCC(F)(F)F)c1.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
The InChIKey is HRJYLIFLSUEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)1-2-12-4-6(5-13)3-11-12/h3-4,13H,1-2,5H2.
What are the key properties of [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol?
[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol has a molecular weight of 194.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 64565126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).