1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol

C19H18F3N3O — CID 71002300

IUPAC1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc3c(nnn3CC3CC3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O/c1-11(26)13-4-6-14(7-5-13)15-8-9-16-18(17(15)19(20,21)22)23-24-25(16)10-12-2-3-12/h4-9,11-12,26H,2-3,10H2,1H3
InChIKeyXQDPHTLCMJNERK-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.58
Rot. Bonds4

About 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol

1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol (PubChem CID 71002300) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol
PubChem CID71002300
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc3c(nnn3CC3CC3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O/c1-11(26)13-4-6-14(7-5-13)15-8-9-16-18(17(15)19(20,21)22)23-24-25(16)10-12-2-3-12/h4-9,11-12,26H,2-3,10H2,1H3
InChIKeyXQDPHTLCMJNERK-UHFFFAOYSA-N
XLogP4.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol (CID 71002300) is 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol is CC(O)c1ccc(-c2ccc3c(nnn3CC3CC3)c2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol?
The InChIKey is XQDPHTLCMJNERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-11(26)13-4-6-14(7-5-13)15-8-9-16-18(17(15)19(20,21)22)23-24-25(16)10-12-2-3-12/h4-9,11-12,26H,2-3,10H2,1H3.
What are the key properties of 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol?
1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol has a molecular weight of 361.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 71002300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).