1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol

C14H18N2O — CID 55109223

IUPAC1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol
SMILESCc1cc(C)cc(Cn2cc(C(C)O)cn2)c1
InChIInChI=1S/C14H18N2O/c1-10-4-11(2)6-13(5-10)8-16-9-14(7-15-16)12(3)17/h4-7,9,12,17H,8H2,1-3H3
InChIKeyXMNPZNBPQZTDJG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds3

About 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol

1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol (PubChem CID 55109223) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol
PubChem CID55109223
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol
SMILESCc1cc(C)cc(Cn2cc(C(C)O)cn2)c1
InChIInChI=1S/C14H18N2O/c1-10-4-11(2)6-13(5-10)8-16-9-14(7-15-16)12(3)17/h4-7,9,12,17H,8H2,1-3H3
InChIKeyXMNPZNBPQZTDJG-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

1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
1-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethanol
CID 146194526
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 107053748
1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol
CID 62730190
N-[[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 55111012
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
CID 62731819
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
1-[1-[(1-methylcyclobutyl)methyl]pyrazol-4-yl]ethanol
CID 130601550
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol (CID 55109223) is 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol is Cc1cc(C)cc(Cn2cc(C(C)O)cn2)c1.
What is the InChIKey of 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is XMNPZNBPQZTDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-11(2)6-13(5-10)8-16-9-14(7-15-16)12(3)17/h4-7,9,12,17H,8H2,1-3H3.
What are the key properties of 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol?
1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol 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 1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 55109223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).