2-methyl-1-(2-pyrazol-1-ylethyl)indole

C14H15N3 — CID 63810804

IUPAC2-methyl-1-(2-pyrazol-1-ylethyl)indole
SMILESCc1cc2ccccc2n1CCn1cccn1
InChIInChI=1S/C14H15N3/c1-12-11-13-5-2-3-6-14(13)17(12)10-9-16-8-4-7-15-16/h2-8,11H,9-10H2,1H3
InChIKeyBFEHUXZWAFGCMJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-1-(2-pyrazol-1-ylethyl)indole

2-methyl-1-(2-pyrazol-1-ylethyl)indole (PubChem CID 63810804) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-methyl-1-(2-pyrazol-1-ylethyl)indole.

Molecular Properties

Compound Name2-methyl-1-(2-pyrazol-1-ylethyl)indole
PubChem CID63810804
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-methyl-1-(2-pyrazol-1-ylethyl)indole
SMILESCc1cc2ccccc2n1CCn1cccn1
InChIInChI=1S/C14H15N3/c1-12-11-13-5-2-3-6-14(13)17(12)10-9-16-8-4-7-15-16/h2-8,11H,9-10H2,1H3
InChIKeyBFEHUXZWAFGCMJ-UHFFFAOYSA-N
XLogP2.85
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyrazol-1-ylethyl)indole?
The IUPAC name of 2-methyl-1-(2-pyrazol-1-ylethyl)indole (CID 63810804) is 2-methyl-1-(2-pyrazol-1-ylethyl)indole.
What is the SMILES notation for 2-methyl-1-(2-pyrazol-1-ylethyl)indole?
The canonical SMILES for 2-methyl-1-(2-pyrazol-1-ylethyl)indole is Cc1cc2ccccc2n1CCn1cccn1.
What is the InChIKey of 2-methyl-1-(2-pyrazol-1-ylethyl)indole?
The InChIKey is BFEHUXZWAFGCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-12-11-13-5-2-3-6-14(13)17(12)10-9-16-8-4-7-15-16/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-methyl-1-(2-pyrazol-1-ylethyl)indole?
2-methyl-1-(2-pyrazol-1-ylethyl)indole has a molecular weight of 225.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyrazol-1-ylethyl)indole is sourced from PubChem (CID 63810804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).