3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole

C13H13N3 — CID 139948615

IUPAC3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole
SMILESCn1cc(C=C2C=NNC2)c2ccccc21
InChIInChI=1S/C13H13N3/c1-16-9-11(6-10-7-14-15-8-10)12-4-2-3-5-13(12)16/h2-7,9,15H,8H2,1H3
InChIKeyLYNMJFRUEOVYNO-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.15
Rot. Bonds1

About 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole

3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole (PubChem CID 139948615) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole.

Molecular Properties

Compound Name3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole
PubChem CID139948615
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole
SMILESCn1cc(C=C2C=NNC2)c2ccccc21
InChIInChI=1S/C13H13N3/c1-16-9-11(6-10-7-14-15-8-10)12-4-2-3-5-13(12)16/h2-7,9,15H,8H2,1H3
InChIKeyLYNMJFRUEOVYNO-UHFFFAOYSA-N
XLogP2.15
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole?
The IUPAC name of 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole (CID 139948615) is 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole.
What is the SMILES notation for 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole?
The canonical SMILES for 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole is Cn1cc(C=C2C=NNC2)c2ccccc21.
What is the InChIKey of 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole?
The InChIKey is LYNMJFRUEOVYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-16-9-11(6-10-7-14-15-8-10)12-4-2-3-5-13(12)16/h2-7,9,15H,8H2,1H3.
What are the key properties of 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole?
3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole has a molecular weight of 211.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole is sourced from PubChem (CID 139948615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).