1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol

C15H20N2O2 — CID 68594297

IUPAC1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccnn1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-15(18)14-9-10-16-17(14)11-12-5-7-13(19-2)8-6-12/h5-10,15,18H,3-4,11H2,1-2H3
InChIKeyMSJFSZUMELQXSA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.77
Rot. Bonds6

About 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol

1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol (PubChem CID 68594297) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol
PubChem CID68594297
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccnn1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-15(18)14-9-10-16-17(14)11-12-5-7-13(19-2)8-6-12/h5-10,15,18H,3-4,11H2,1-2H3
InChIKeyMSJFSZUMELQXSA-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 10330920
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 63975289
N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 87192160
4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 103089922
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol
CID 45485612

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol (CID 68594297) is 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol is CCCC(O)c1ccnn1Cc1ccc(OC)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol?
The InChIKey is MSJFSZUMELQXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-15(18)14-9-10-16-17(14)11-12-5-7-13(19-2)8-6-12/h5-10,15,18H,3-4,11H2,1-2H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol?
1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol is sourced from PubChem (CID 68594297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).