6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole

C14H13ClFN3 — CID 118104200

IUPAC6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole
SMILESCCCn1cc(-n2ccc3ccc(Cl)c(F)c32)cn1
InChIInChI=1S/C14H13ClFN3/c1-2-6-18-9-11(8-17-18)19-7-5-10-3-4-12(15)13(16)14(10)19/h3-5,7-9H,2,6H2,1H3
InChIKeyCLMJYIQSMYNJEP-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.03
Rot. Bonds3

About 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole

6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole (PubChem CID 118104200) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole.

Molecular Properties

Compound Name6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole
PubChem CID118104200
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole
SMILESCCCn1cc(-n2ccc3ccc(Cl)c(F)c32)cn1
InChIInChI=1S/C14H13ClFN3/c1-2-6-18-9-11(8-17-18)19-7-5-10-3-4-12(15)13(16)14(10)19/h3-5,7-9H,2,6H2,1H3
InChIKeyCLMJYIQSMYNJEP-UHFFFAOYSA-N
XLogP4.03
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-7-fluoro-1-(1-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 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole?
The IUPAC name of 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole (CID 118104200) is 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole.
What is the SMILES notation for 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole?
The canonical SMILES for 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole is CCCn1cc(-n2ccc3ccc(Cl)c(F)c32)cn1.
What is the InChIKey of 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole?
The InChIKey is CLMJYIQSMYNJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c1-2-6-18-9-11(8-17-18)19-7-5-10-3-4-12(15)13(16)14(10)19/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole?
6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole has a molecular weight of 277.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-1-(1-propylpyrazol-4-yl)indole is sourced from PubChem (CID 118104200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).