5-ethyl-1-methyl-2-pyrazol-1-ylindole

C14H15N3 — CID 134959517

IUPAC5-ethyl-1-methyl-2-pyrazol-1-ylindole
SMILESCCc1ccc2c(c1)cc(-n1cccn1)n2C
InChIInChI=1S/C14H15N3/c1-3-11-5-6-13-12(9-11)10-14(16(13)2)17-8-4-7-15-17/h4-10H,3H2,1-2H3
InChIKeyJTHWYVMYSICVCS-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.93
Rot. Bonds2

About 5-ethyl-1-methyl-2-pyrazol-1-ylindole

5-ethyl-1-methyl-2-pyrazol-1-ylindole (PubChem CID 134959517) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-pyrazol-1-ylindole.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-pyrazol-1-ylindole
PubChem CID134959517
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name5-ethyl-1-methyl-2-pyrazol-1-ylindole
SMILESCCc1ccc2c(c1)cc(-n1cccn1)n2C
InChIInChI=1S/C14H15N3/c1-3-11-5-6-13-12(9-11)10-14(16(13)2)17-8-4-7-15-17/h4-10H,3H2,1-2H3
InChIKeyJTHWYVMYSICVCS-UHFFFAOYSA-N
XLogP2.93
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-pyrazol-1-ylindole?
The IUPAC name of 5-ethyl-1-methyl-2-pyrazol-1-ylindole (CID 134959517) is 5-ethyl-1-methyl-2-pyrazol-1-ylindole.
What is the SMILES notation for 5-ethyl-1-methyl-2-pyrazol-1-ylindole?
The canonical SMILES for 5-ethyl-1-methyl-2-pyrazol-1-ylindole is CCc1ccc2c(c1)cc(-n1cccn1)n2C.
What is the InChIKey of 5-ethyl-1-methyl-2-pyrazol-1-ylindole?
The InChIKey is JTHWYVMYSICVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-11-5-6-13-12(9-11)10-14(16(13)2)17-8-4-7-15-17/h4-10H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-2-pyrazol-1-ylindole?
5-ethyl-1-methyl-2-pyrazol-1-ylindole has a molecular weight of 225.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2-pyrazol-1-ylindole is sourced from PubChem (CID 134959517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).