[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol

C14H15F3N2O2 — CID 103003528

IUPAC[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
SMILESCn1cc(CCOc2ccc(CO)cc2C(F)(F)F)cn1
InChIInChI=1S/C14H15F3N2O2/c1-19-8-11(7-18-19)4-5-21-13-3-2-10(9-20)6-12(13)14(15,16)17/h2-3,6-8,20H,4-5,9H2,1H3
InChIKeyNYNWEIKICQHDEP-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.55
Rot. Bonds5

About [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol

[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol (PubChem CID 103003528) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
PubChem CID103003528
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
SMILESCn1cc(CCOc2ccc(CO)cc2C(F)(F)F)cn1
InChIInChI=1S/C14H15F3N2O2/c1-19-8-11(7-18-19)4-5-21-13-3-2-10(9-20)6-12(13)14(15,16)17/h2-3,6-8,20H,4-5,9H2,1H3
InChIKeyNYNWEIKICQHDEP-UHFFFAOYSA-N
XLogP2.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
CID 116793015
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320707
[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
CID 107043845
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
4-[2-[4-(bromomethyl)-2-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003729
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol (CID 103003528) is [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol is Cn1cc(CCOc2ccc(CO)cc2C(F)(F)F)cn1.
What is the InChIKey of [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is NYNWEIKICQHDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-19-8-11(7-18-19)4-5-21-13-3-2-10(9-20)6-12(13)14(15,16)17/h2-3,6-8,20H,4-5,9H2,1H3.
What are the key properties of [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol?
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 300.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 103003528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).