(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol

C14H15F3N2O — CID 105097047

IUPAC(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCCc1cc(C(O)c2ccc(F)c(F)c2F)n(CC)n1
InChIInChI=1S/C14H15F3N2O/c1-3-8-7-11(19(4-2)18-8)14(20)9-5-6-10(15)13(17)12(9)16/h5-7,14,20H,3-4H2,1-2H3
InChIKeyQHNHFQFHHBRFSF-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.96
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol

(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 105097047) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
PubChem CID105097047
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCCc1cc(C(O)c2ccc(F)c(F)c2F)n(CC)n1
InChIInChI=1S/C14H15F3N2O/c1-3-8-7-11(19(4-2)18-8)14(20)9-5-6-10(15)13(17)12(9)16/h5-7,14,20H,3-4H2,1-2H3
InChIKeyQHNHFQFHHBRFSF-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)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-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
N-[(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 105173638
(1,3-diethylpyrazol-5-yl)-quinolin-5-ylmethanol
CID 105118165
1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
CID 105119200
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 106765132
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
CID 105094553
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
[(1,3-diethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302786
(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397297

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol (CID 105097047) is (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol is CCc1cc(C(O)c2ccc(F)c(F)c2F)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is QHNHFQFHHBRFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-3-8-7-11(19(4-2)18-8)14(20)9-5-6-10(15)13(17)12(9)16/h5-7,14,20H,3-4H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol?
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 284.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 105097047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).