[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol

C14H16F3N3O — CID 115911605

IUPAC[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H16F3N3O/c1-2-7-20-12(5-6-19-20)13(21)10-8-9(14(15,16)17)3-4-11(10)18/h3-6,8,13,21H,2,7,18H2,1H3
InChIKeyZLTVKOWCOBQVQI-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.98
Rot. Bonds4

About [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol

[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol (PubChem CID 115911605) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
PubChem CID115911605
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H16F3N3O/c1-2-7-20-12(5-6-19-20)13(21)10-8-9(14(15,16)17)3-4-11(10)18/h3-6,8,13,21H,2,7,18H2,1H3
InChIKeyZLTVKOWCOBQVQI-UHFFFAOYSA-N
XLogP2.98
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)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

(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(2-propylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148214
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012
(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 114686729

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol (CID 115911605) is [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
The InChIKey is ZLTVKOWCOBQVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-7-20-12(5-6-19-20)13(21)10-8-9(14(15,16)17)3-4-11(10)18/h3-6,8,13,21H,2,7,18H2,1H3.
What are the key properties of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol has a molecular weight of 299.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 115911605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).