7-chloro-3-(4-methoxyphenyl)-2-propylindazole

C17H17ClN2O — CID 68882476

IUPAC7-chloro-3-(4-methoxyphenyl)-2-propylindazole
SMILESCCCn1nc2c(Cl)cccc2c1-c1ccc(OC)cc1
InChIInChI=1S/C17H17ClN2O/c1-3-11-20-17(12-7-9-13(21-2)10-8-12)14-5-4-6-15(18)16(14)19-20/h4-10H,3,11H2,1-2H3
InChIKeyCNOZUBVNDJFLKL-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.78
Rot. Bonds4

About 7-chloro-3-(4-methoxyphenyl)-2-propylindazole

7-chloro-3-(4-methoxyphenyl)-2-propylindazole (PubChem CID 68882476) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 7-chloro-3-(4-methoxyphenyl)-2-propylindazole.

Molecular Properties

Compound Name7-chloro-3-(4-methoxyphenyl)-2-propylindazole
PubChem CID68882476
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name7-chloro-3-(4-methoxyphenyl)-2-propylindazole
SMILESCCCn1nc2c(Cl)cccc2c1-c1ccc(OC)cc1
InChIInChI=1S/C17H17ClN2O/c1-3-11-20-17(12-7-9-13(21-2)10-8-12)14-5-4-6-15(18)16(14)19-20/h4-10H,3,11H2,1-2H3
InChIKeyCNOZUBVNDJFLKL-UHFFFAOYSA-N
XLogP4.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-(4-methoxyphenyl)-2-propylindazole 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 7-chloro-3-(4-methoxyphenyl)-2-propylindazole?
The IUPAC name of 7-chloro-3-(4-methoxyphenyl)-2-propylindazole (CID 68882476) is 7-chloro-3-(4-methoxyphenyl)-2-propylindazole.
What is the SMILES notation for 7-chloro-3-(4-methoxyphenyl)-2-propylindazole?
The canonical SMILES for 7-chloro-3-(4-methoxyphenyl)-2-propylindazole is CCCn1nc2c(Cl)cccc2c1-c1ccc(OC)cc1.
What is the InChIKey of 7-chloro-3-(4-methoxyphenyl)-2-propylindazole?
The InChIKey is CNOZUBVNDJFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-11-20-17(12-7-9-13(21-2)10-8-12)14-5-4-6-15(18)16(14)19-20/h4-10H,3,11H2,1-2H3.
What are the key properties of 7-chloro-3-(4-methoxyphenyl)-2-propylindazole?
7-chloro-3-(4-methoxyphenyl)-2-propylindazole has a molecular weight of 300.79 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-methoxyphenyl)-2-propylindazole is sourced from PubChem (CID 68882476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).