6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole

C14H17N3 — CID 116698590

IUPAC6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCCc1nn(C)cc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C14H17N3/c1-3-13-12(9-17(2)16-13)11-5-4-10-6-7-15-14(10)8-11/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyQVHRUBYFQGXQGJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.62
Rot. Bonds2

About 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole

6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 116698590) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID116698590
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
SMILESCCc1nn(C)cc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C14H17N3/c1-3-13-12(9-17(2)16-13)11-5-4-10-6-7-15-14(10)8-11/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyQVHRUBYFQGXQGJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole (CID 116698590) is 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole is CCc1nn(C)cc1-c1ccc2c(c1)NCC2.
What is the InChIKey of 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is QVHRUBYFQGXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-13-12(9-17(2)16-13)11-5-4-10-6-7-15-14(10)8-11/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole?
6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 227.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).