(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol

C14H17FN2O — CID 105094043

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCCc1cc(C(O)c2ccc(F)c(C)c2)n(C)n1
InChIInChI=1S/C14H17FN2O/c1-4-11-8-13(17(3)16-11)14(18)10-5-6-12(15)9(2)7-10/h5-8,14,18H,4H2,1-3H3
InChIKeyFDPDBTITJRSLTO-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.51
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol

(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 105094043) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID105094043
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCCc1cc(C(O)c2ccc(F)c(C)c2)n(C)n1
InChIInChI=1S/C14H17FN2O/c1-4-11-8-13(17(3)16-11)14(18)10-5-6-12(15)9(2)7-10/h5-8,14,18H,4H2,1-3H3
InChIKeyFDPDBTITJRSLTO-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

1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142912
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944
[(2,6-difluoro-3-methylphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105330191
(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 105109320
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105145666
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol
CID 114255619

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol (CID 105094043) is (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol is CCc1cc(C(O)c2ccc(F)c(C)c2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is FDPDBTITJRSLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-11-8-13(17(3)16-11)14(18)10-5-6-12(15)9(2)7-10/h5-8,14,18H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol?
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-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)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 105094043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).