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

C16H22N2O — CID 103027828

IUPAC1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCc1ccc(C)c(CC(O)CCc2cnn(C)c2)c1
InChIInChI=1S/C16H22N2O/c1-12-4-5-13(2)15(8-12)9-16(19)7-6-14-10-17-18(3)11-14/h4-5,8,10-11,16,19H,6-7,9H2,1-3H3
InChIKeyQODNNRSUNBAEPQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.57
Rot. Bonds5

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

1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103027828) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103027828
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCc1ccc(C)c(CC(O)CCc2cnn(C)c2)c1
InChIInChI=1S/C16H22N2O/c1-12-4-5-13(2)15(8-12)9-16(19)7-6-14-10-17-18(3)11-14/h4-5,8,10-11,16,19H,6-7,9H2,1-3H3
InChIKeyQODNNRSUNBAEPQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027778
2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103005838
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
CID 103008015

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103027828) is 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol is Cc1ccc(C)c(CC(O)CCc2cnn(C)c2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is QODNNRSUNBAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-4-5-13(2)15(8-12)9-16(19)7-6-14-10-17-18(3)11-14/h4-5,8,10-11,16,19H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103027828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).