3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole

C14H15N3 — CID 4266993

IUPAC3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole
SMILESCc1cc(C)n(-c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N3/c1-9-8-10(2)17(16-9)14-11(3)15-13-7-5-4-6-12(13)14/h4-8,15H,1-3H3
InChIKeyGTPMWGAGDGGWMJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.28
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole (PubChem CID 4266993) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole
PubChem CID4266993
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole
SMILESCc1cc(C)n(-c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N3/c1-9-8-10(2)17(16-9)14-11(3)15-13-7-5-4-6-12(13)14/h4-8,15H,1-3H3
InChIKeyGTPMWGAGDGGWMJ-UHFFFAOYSA-N
XLogP3.28
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole (CID 4266993) is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole is Cc1cc(C)n(-c2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole?
The InChIKey is GTPMWGAGDGGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-9-8-10(2)17(16-9)14-11(3)15-13-7-5-4-6-12(13)14/h4-8,15H,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole?
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole has a molecular weight of 225.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-1H-indole is sourced from PubChem (CID 4266993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).