3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol

C18H18N6O2 — CID 155524869

IUPAC3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESCn1nccc1-c1cc(NCCO)c2nnn(-c3cccc(O)c3)c2c1
InChIInChI=1S/C18H18N6O2/c1-23-16(5-6-20-23)12-9-15(19-7-8-25)18-17(10-12)24(22-21-18)13-3-2-4-14(26)11-13/h2-6,9-11,19,25-26H,7-8H2,1H3
InChIKeyFHXIPRMDSPBVJJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.93
Rot. Bonds5

About 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol

3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (PubChem CID 155524869) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
PubChem CID155524869
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
SMILESCn1nccc1-c1cc(NCCO)c2nnn(-c3cccc(O)c3)c2c1
InChIInChI=1S/C18H18N6O2/c1-23-16(5-6-20-23)12-9-15(19-7-8-25)18-17(10-12)24(22-21-18)13-3-2-4-14(26)11-13/h2-6,9-11,19,25-26H,7-8H2,1H3
InChIKeyFHXIPRMDSPBVJJ-UHFFFAOYSA-N
XLogP1.93
TPSA101.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol 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

3-[4-Methyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 146433270
3-[4-Chloro-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155535856
1-(3-Hydroxyphenyl)-6-(2-methylpyrazol-3-yl)benzotriazole-4-carbonitrile
CID 155511330
3-[4-Ethenyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155553296
3-[6-(2-Methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155511705
3-[4-Ethyl-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155523514
3-[4-(Benzylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155539753
3-[4-Methoxy-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol
CID 155563743
3-[6-(2-Methylpyrazol-3-yl)-4-pyrrolidin-1-ylbenzotriazol-1-yl]phenol
CID 155565469
4-[5-[3-(3-Hydroxyphenyl)benzotriazol-5-yl]pyrazol-1-yl]benzonitrile
CID 177643205
3-[4-[4-[4-Ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]phenol
CID 153436183
Carbon dioxide;3-[4-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]phenol
CID 161005877

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The IUPAC name of 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol (CID 155524869) is 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The canonical SMILES for 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is Cn1nccc1-c1cc(NCCO)c2nnn(-c3cccc(O)c3)c2c1.
What is the InChIKey of 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
The InChIKey is FHXIPRMDSPBVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23-16(5-6-20-23)12-9-15(19-7-8-25)18-17(10-12)24(22-21-18)13-3-2-4-14(26)11-13/h2-6,9-11,19,25-26H,7-8H2,1H3.
What are the key properties of 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol?
3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol has a molecular weight of 350.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethylamino)-6-(2-methylpyrazol-3-yl)benzotriazol-1-yl]phenol is sourced from PubChem (CID 155524869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).