2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol

C16H22N2O — CID 116817761

IUPAC2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(C)(C)C)cc2)cc1CCO
InChIInChI=1S/C16H22N2O/c1-12-13(9-10-19)11-18(17-12)15-7-5-14(6-8-15)16(2,3)4/h5-8,11,19H,9-10H2,1-4H3
InChIKeyNMUQLZLKNNNGFA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.01
Rot. Bonds3

About 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol

2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol (PubChem CID 116817761) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol
PubChem CID116817761
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(C)(C)C)cc2)cc1CCO
InChIInChI=1S/C16H22N2O/c1-12-13(9-10-19)11-18(17-12)15-7-5-14(6-8-15)16(2,3)4/h5-8,11,19H,9-10H2,1-4H3
InChIKeyNMUQLZLKNNNGFA-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817765
2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
CID 116817752
1-[4-[4-(bromomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
CID 84617721
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813
[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39359841
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174415280
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
[1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 66777424
[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 58733868
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 165072337
2-(4-methyl-1-phenylpyrazol-3-yl)ethanol
CID 142747347

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol (CID 116817761) is 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol is Cc1nn(-c2ccc(C(C)(C)C)cc2)cc1CCO.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol?
The InChIKey is NMUQLZLKNNNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-13(9-10-19)11-18(17-12)15-7-5-14(6-8-15)16(2,3)4/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol?
2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)-3-methylpyrazol-4-yl]ethanol is sourced from PubChem (CID 116817761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).