(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol

C13H15FN2O — CID 63974209

IUPAC(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCCn1nccc1C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-3-16-12(6-7-15-16)13(17)10-5-4-9(2)11(14)8-10/h4-8,13,17H,3H2,1-2H3
InChIKeyNLMOSJSUHRPMDL-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.43
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol

(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 63974209) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID63974209
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCCn1nccc1C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-3-16-12(6-7-15-16)13(17)10-5-4-9(2)11(14)8-10/h4-8,13,17H,3H2,1-2H3
InChIKeyNLMOSJSUHRPMDL-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(2-ethylpyrazol-3-yl)-(3-fluorophenyl)methanol
CID 63975475
(2-ethylpyrazol-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63976113
(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 115798794
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 66424235
(3-ethylphenyl)-(2-ethylpyrazol-3-yl)methanol
CID 114556807
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
(2-ethylpyrazol-3-yl)-(4-propylphenyl)methanol
CID 114556918
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
CID 63976111
(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol
CID 114754847
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol (CID 63974209) is (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol is CCn1nccc1C(O)c1ccc(C)c(F)c1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is NLMOSJSUHRPMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-16-12(6-7-15-16)13(17)10-5-4-9(2)11(14)8-10/h4-8,13,17H,3H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol?
(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 234.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 63974209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).