1-[(4-methoxyphenyl)methyl]pyrazole

C11H12N2O — CID 10241708

IUPAC1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H12N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-8H,9H2,1H3
InChIKeyDFJJBKFWYFQQIE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.94
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]pyrazole

1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 10241708) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID10241708
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H12N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-8H,9H2,1H3
InChIKeyDFJJBKFWYFQQIE-UHFFFAOYSA-N
XLogP1.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrazole (CID 10241708) is 1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is DFJJBKFWYFQQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-8H,9H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]pyrazole?
1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 188.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 10241708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).