3-(2-methoxy-3-propylphenyl)-1-methylpyrazole

C14H18N2O — CID 170279021

IUPAC3-(2-methoxy-3-propylphenyl)-1-methylpyrazole
SMILESCCCc1cccc(-c2ccn(C)n2)c1OC
InChIInChI=1S/C14H18N2O/c1-4-6-11-7-5-8-12(14(11)17-3)13-9-10-16(2)15-13/h5,7-10H,4,6H2,1-3H3
InChIKeyIDVSOAQXUOSRPT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.05
Rot. Bonds4

About 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole

3-(2-methoxy-3-propylphenyl)-1-methylpyrazole (PubChem CID 170279021) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-methoxy-3-propylphenyl)-1-methylpyrazole
PubChem CID170279021
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(2-methoxy-3-propylphenyl)-1-methylpyrazole
SMILESCCCc1cccc(-c2ccn(C)n2)c1OC
InChIInChI=1S/C14H18N2O/c1-4-6-11-7-5-8-12(14(11)17-3)13-9-10-16(2)15-13/h5,7-10H,4,6H2,1-3H3
InChIKeyIDVSOAQXUOSRPT-UHFFFAOYSA-N
XLogP3.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole 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 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole?
The IUPAC name of 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole (CID 170279021) is 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole?
The canonical SMILES for 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole is CCCc1cccc(-c2ccn(C)n2)c1OC.
What is the InChIKey of 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole?
The InChIKey is IDVSOAQXUOSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-6-11-7-5-8-12(14(11)17-3)13-9-10-16(2)15-13/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole?
3-(2-methoxy-3-propylphenyl)-1-methylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-propylphenyl)-1-methylpyrazole is sourced from PubChem (CID 170279021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).