[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol

C13H12FN5O — CID 114685209

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN5O/c1-19-11(7-16-18-19)13(20)10-6-15-17-12(10)8-2-4-9(14)5-3-8/h2-7,13,20H,1H3,(H,15,17)
InChIKeyIKXLOXDOVKVWEG-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.43
Rot. Bonds3

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol (PubChem CID 114685209) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol
PubChem CID114685209
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN5O/c1-19-11(7-16-18-19)13(20)10-6-15-17-12(10)8-2-4-9(14)5-3-8/h2-7,13,20H,1H3,(H,15,17)
InChIKeyIKXLOXDOVKVWEG-UHFFFAOYSA-N
XLogP1.43
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-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

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol
CID 102829326
cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
CID 106651327
3-bromo-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propane-1,2-diol
CID 171861357
[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol
CID 114684708
(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
CID 106694030
5-(4-fluorophenyl)-4-iodo-1H-pyrazole
CID 63735008
cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651341
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
CID 118484799
(3-methyltriazol-4-yl)-pyridin-2-ylmethanol
CID 114684772
[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651340
(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128734
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol (CID 114685209) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol?
The InChIKey is IKXLOXDOVKVWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-19-11(7-16-18-19)13(20)10-6-15-17-12(10)8-2-4-9(14)5-3-8/h2-7,13,20H,1H3,(H,15,17).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol has a molecular weight of 273.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114685209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).