2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol

C15H20N2O2 — CID 103005784

IUPAC2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCOc1ccccc1C(C)(O)CCc1cnn(C)c1
InChIInChI=1S/C15H20N2O2/c1-15(18,9-8-12-10-16-17(2)11-12)13-6-4-5-7-14(13)19-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySKDGLHMPYDYSKO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol

2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103005784) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103005784
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCOc1ccccc1C(C)(O)CCc1cnn(C)c1
InChIInChI=1S/C15H20N2O2/c1-15(18,9-8-12-10-16-17(2)11-12)13-6-4-5-7-14(13)19-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySKDGLHMPYDYSKO-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103005838
2-(4-iodophenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 114083180
2-(2-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diol
CID 103018844
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
3-methoxy-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 113392755
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
CID 79117864
2-(2-methoxyphenyl)-1-piperazin-1-ylpropan-2-ol
CID 82297558
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
CID 146140960
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111218187
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103005784) is 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol is COc1ccccc1C(C)(O)CCc1cnn(C)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is SKDGLHMPYDYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(18,9-8-12-10-16-17(2)11-12)13-6-4-5-7-14(13)19-3/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol?
2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103005784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).