(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol

C14H18N2O — CID 63894378

IUPAC(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(C)cc(C)c2)cn1
InChIInChI=1S/C14H18N2O/c1-4-16-9-13(8-15-16)14(17)12-6-10(2)5-11(3)7-12/h5-9,14,17H,4H2,1-3H3
InChIKeyWBBKDALJASXQGN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds3

About (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol

(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 63894378) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID63894378
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(C)cc(C)c2)cn1
InChIInChI=1S/C14H18N2O/c1-4-16-9-13(8-15-16)14(17)12-6-10(2)5-11(3)7-12/h5-9,14,17H,4H2,1-3H3
InChIKeyWBBKDALJASXQGN-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63901362
(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969581
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105081796
(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 79980499
(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63893672
(1-ethylpyrazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895454
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 82819469

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol (CID 63894378) is (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(C)cc(C)c2)cn1.
What is the InChIKey of (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is WBBKDALJASXQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-16-9-13(8-15-16)14(17)12-6-10(2)5-11(3)7-12/h5-9,14,17H,4H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 230.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 63894378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).