2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol

C16H22N2O — CID 103005838

IUPAC2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCc1ccc(C)c(C(C)(O)CCc2cnn(C)c2)c1
InChIInChI=1S/C16H22N2O/c1-12-5-6-13(2)15(9-12)16(3,19)8-7-14-10-17-18(4)11-14/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyZPMXZBWXDCFPNE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.88
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol

2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103005838) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103005838
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCc1ccc(C)c(C(C)(O)CCc2cnn(C)c2)c1
InChIInChI=1S/C16H22N2O/c1-12-5-6-13(2)15(9-12)16(3,19)8-7-14-10-17-18(4)11-14/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyZPMXZBWXDCFPNE-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103005784
2-(4-iodophenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 114083180
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-(2-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diol
CID 103018844
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027828
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 103008136
2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
2-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-enoic acid
CID 103005142
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103005838) is 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol is Cc1ccc(C)c(C(C)(O)CCc2cnn(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is ZPMXZBWXDCFPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-6-13(2)15(9-12)16(3,19)8-7-14-10-17-18(4)11-14/h5-6,9-11,19H,7-8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103005838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).