(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol

C14H17FN2O — CID 105094194

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCCc1cc(C(O)c2cc(C)ccc2F)n(C)n1
InChIInChI=1S/C14H17FN2O/c1-4-10-8-13(17(3)16-10)14(18)11-7-9(2)5-6-12(11)15/h5-8,14,18H,4H2,1-3H3
InChIKeySVRDUSCPRDCTQE-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.51
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol

(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol (PubChem CID 105094194) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
PubChem CID105094194
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCCc1cc(C(O)c2cc(C)ccc2F)n(C)n1
InChIInChI=1S/C14H17FN2O/c1-4-10-8-13(17(3)16-10)14(18)11-7-9(2)5-6-12(11)15/h5-8,14,18H,4H2,1-3H3
InChIKeySVRDUSCPRDCTQE-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
CID 66117981
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 106765132
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105095860
[(1,3-diethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302786
(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 105109320
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66162043
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol (CID 105094194) is (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol is CCc1cc(C(O)c2cc(C)ccc2F)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol?
The InChIKey is SVRDUSCPRDCTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-10-8-13(17(3)16-10)14(18)11-7-9(2)5-6-12(11)15/h5-8,14,18H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol?
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol has a molecular weight of 248.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 105094194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).