1-methyl-5-(1H-pyrazol-4-yl)indole

C12H11N3 — CID 145005318

IUPAC1-methyl-5-(1H-pyrazol-4-yl)indole
SMILESCn1ccc2cc(-c3cn[nH]c3)ccc21
InChIInChI=1S/C12H11N3/c1-15-5-4-10-6-9(2-3-12(10)15)11-7-13-14-8-11/h2-8H,1H3,(H,13,14)
InChIKeyDJKXRYCGSHQUIL-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.57
Rot. Bonds1

About 1-methyl-5-(1H-pyrazol-4-yl)indole

1-methyl-5-(1H-pyrazol-4-yl)indole (PubChem CID 145005318) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-methyl-5-(1H-pyrazol-4-yl)indole
PubChem CID145005318
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-methyl-5-(1H-pyrazol-4-yl)indole
SMILESCn1ccc2cc(-c3cn[nH]c3)ccc21
InChIInChI=1S/C12H11N3/c1-15-5-4-10-6-9(2-3-12(10)15)11-7-13-14-8-11/h2-8H,1H3,(H,13,14)
InChIKeyDJKXRYCGSHQUIL-UHFFFAOYSA-N
XLogP2.57
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-methyl-5-(1H-pyrazol-4-yl)indole (CID 145005318) is 1-methyl-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-methyl-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-methyl-5-(1H-pyrazol-4-yl)indole is Cn1ccc2cc(-c3cn[nH]c3)ccc21.
What is the InChIKey of 1-methyl-5-(1H-pyrazol-4-yl)indole?
The InChIKey is DJKXRYCGSHQUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-15-5-4-10-6-9(2-3-12(10)15)11-7-13-14-8-11/h2-8H,1H3,(H,13,14).
What are the key properties of 1-methyl-5-(1H-pyrazol-4-yl)indole?
1-methyl-5-(1H-pyrazol-4-yl)indole has a molecular weight of 197.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 145005318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).