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

C15H20N2O2 — CID 103008036

IUPAC1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCOc1cccc(CC(O)CCc2ccnn2C)c1
InChIInChI=1S/C15H20N2O2/c1-17-13(8-9-16-17)6-7-14(18)10-12-4-3-5-15(11-12)19-2/h3-5,8-9,11,14,18H,6-7,10H2,1-2H3
InChIKeyUTMGFINBJLIJPJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.96
Rot. Bonds6

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

1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103008036) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103008036
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCOc1cccc(CC(O)CCc2ccnn2C)c1
InChIInChI=1S/C15H20N2O2/c1-17-13(8-9-16-17)6-7-14(18)10-12-4-3-5-15(11-12)19-2/h3-5,8-9,11,14,18H,6-7,10H2,1-2H3
InChIKeyUTMGFINBJLIJPJ-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-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809
[2-(3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105205136
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111249985
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103008036) is 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol is COc1cccc(CC(O)CCc2ccnn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is UTMGFINBJLIJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-13(8-9-16-17)6-7-14(18)10-12-4-3-5-15(11-12)19-2/h3-5,8-9,11,14,18H,6-7,10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
1-(3-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-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103008036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).