1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol

C15H20N2O2 — CID 103008038

IUPAC1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCOc1ccc(CC(O)CCc2ccnn2C)cc1
InChIInChI=1S/C15H20N2O2/c1-17-13(9-10-16-17)5-6-14(18)11-12-3-7-15(19-2)8-4-12/h3-4,7-10,14,18H,5-6,11H2,1-2H3
InChIKeyUXTDPXRKKJMBAO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.96
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol

1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103008038) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103008038
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCOc1ccc(CC(O)CCc2ccnn2C)cc1
InChIInChI=1S/C15H20N2O2/c1-17-13(9-10-16-17)5-6-14(18)11-12-3-7-15(19-2)8-4-12/h3-4,7-10,14,18H,5-6,11H2,1-2H3
InChIKeyUXTDPXRKKJMBAO-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008036
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103027979
1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
CID 115811610
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103008038) is 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol is COc1ccc(CC(O)CCc2ccnn2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is UXTDPXRKKJMBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-13(9-10-16-17)5-6-14(18)11-12-3-7-15(19-2)8-4-12/h3-4,7-10,14,18H,5-6,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103008038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).