5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole

C21H19ClFN3 — CID 69440732

IUPAC5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole
SMILESCCCc1nn(C)c(-c2ccc(F)cc2)c1-n1ccc2cc(Cl)ccc21
InChIInChI=1S/C21H19ClFN3/c1-3-4-18-21(26-12-11-15-13-16(22)7-10-19(15)26)20(25(2)24-18)14-5-8-17(23)9-6-14/h5-13H,3-4H2,1-2H3
InChIKeyWTRATMWWQJPGNR-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.78
Rot. Bonds4

About 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole

5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole (PubChem CID 69440732) has the molecular formula C21H19ClFN3 and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole.

Molecular Properties

Compound Name5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole
PubChem CID69440732
Molecular FormulaC21H19ClFN3
Molecular Weight367.86 g/mol
Exact Mass367.13
IUPAC Name5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole
SMILESCCCc1nn(C)c(-c2ccc(F)cc2)c1-n1ccc2cc(Cl)ccc21
InChIInChI=1S/C21H19ClFN3/c1-3-4-18-21(26-12-11-15-13-16(22)7-10-19(15)26)20(25(2)24-18)14-5-8-17(23)9-6-14/h5-13H,3-4H2,1-2H3
InChIKeyWTRATMWWQJPGNR-UHFFFAOYSA-N
XLogP5.78
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole 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 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole?
The IUPAC name of 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole (CID 69440732) is 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole.
What is the SMILES notation for 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole?
The canonical SMILES for 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole is CCCc1nn(C)c(-c2ccc(F)cc2)c1-n1ccc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole?
The InChIKey is WTRATMWWQJPGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3/c1-3-4-18-21(26-12-11-15-13-16(22)7-10-19(15)26)20(25(2)24-18)14-5-8-17(23)9-6-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole?
5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole has a molecular weight of 367.86 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[5-(4-fluorophenyl)-1-methyl-3-propylpyrazol-4-yl]indole is sourced from PubChem (CID 69440732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).