1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol

C14H18N2O — CID 55061914

IUPAC1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
SMILESCCn1cc(C(O)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C14H18N2O/c1-3-16-10-13(9-15-16)14(17)8-12-6-4-11(2)5-7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyKBJIUBMQTKFLFS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol

1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol (PubChem CID 55061914) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
PubChem CID55061914
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
SMILESCCn1cc(C(O)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C14H18N2O/c1-3-16-10-13(9-15-16)14(17)8-12-6-4-11(2)5-7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyKBJIUBMQTKFLFS-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
3-(4-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 105080738
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066757
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
CID 75518066
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
[(1-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol (CID 55061914) is 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol is CCn1cc(C(O)Cc2ccc(C)cc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol?
The InChIKey is KBJIUBMQTKFLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-16-10-13(9-15-16)14(17)8-12-6-4-11(2)5-7-12/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol?
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 55061914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).