(1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol

C13H13F3N2O — CID 126760559

IUPAC(1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccn(-c2cc(C(F)(F)F)ccc2[C@H](C)O)n1
InChIInChI=1S/C13H13F3N2O/c1-8-5-6-18(17-8)12-7-10(13(14,15)16)3-4-11(12)9(2)19/h3-7,9,19H,1-2H3/t9-/m0/s1
InChIKeyMVNABERILFYUGE-VIFPVBQESA-N
MW270.25 g/mol
LogP3.25
Rot. Bonds2

About (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol

(1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 126760559) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol
PubChem CID126760559
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name(1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccn(-c2cc(C(F)(F)F)ccc2[C@H](C)O)n1
InChIInChI=1S/C13H13F3N2O/c1-8-5-6-18(17-8)12-7-10(13(14,15)16)3-4-11(12)9(2)19/h3-7,9,19H,1-2H3/t9-/m0/s1
InChIKeyMVNABERILFYUGE-VIFPVBQESA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol (CID 126760559) is (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol is Cc1ccn(-c2cc(C(F)(F)F)ccc2[C@H](C)O)n1.
What is the InChIKey of (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MVNABERILFYUGE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-5-6-18(17-8)12-7-10(13(14,15)16)3-4-11(12)9(2)19/h3-7,9,19H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol?
(1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 270.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 126760559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).