6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole

C14H13ClFN3 — CID 141328486

IUPAC6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole
SMILESCCn1ccc(-n2c(C)cc3ccc(Cl)c(F)c32)n1
InChIInChI=1S/C14H13ClFN3/c1-3-18-7-6-12(17-18)19-9(2)8-10-4-5-11(15)13(16)14(10)19/h4-8H,3H2,1-2H3
InChIKeyUUGPCGZUPPBSCU-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.95
Rot. Bonds2

About 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole

6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole (PubChem CID 141328486) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole.

Molecular Properties

Compound Name6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole
PubChem CID141328486
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole
SMILESCCn1ccc(-n2c(C)cc3ccc(Cl)c(F)c32)n1
InChIInChI=1S/C14H13ClFN3/c1-3-18-7-6-12(17-18)19-9(2)8-10-4-5-11(15)13(16)14(10)19/h4-8H,3H2,1-2H3
InChIKeyUUGPCGZUPPBSCU-UHFFFAOYSA-N
XLogP3.95
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole?
The IUPAC name of 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole (CID 141328486) is 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole.
What is the SMILES notation for 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole?
The canonical SMILES for 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole is CCn1ccc(-n2c(C)cc3ccc(Cl)c(F)c32)n1.
What is the InChIKey of 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole?
The InChIKey is UUGPCGZUPPBSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c1-3-18-7-6-12(17-18)19-9(2)8-10-4-5-11(15)13(16)14(10)19/h4-8H,3H2,1-2H3.
What are the key properties of 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole?
6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole has a molecular weight of 277.73 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(1-ethylpyrazol-3-yl)-7-fluoro-2-methylindole is sourced from PubChem (CID 141328486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).