2-(5-methyl-1H-pyrazol-3-yl)-1H-indole

C12H11N3 — CID 135929097

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-1H-indole
SMILESCc1cc(-c2cc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C12H11N3/c1-8-6-12(15-14-8)11-7-9-4-2-3-5-10(9)13-11/h2-7,13H,1H3,(H,14,15)
InChIKeyYLKJJERCKRGNPB-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.87
Rot. Bonds1

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

2-(5-methyl-1H-pyrazol-3-yl)-1H-indole (PubChem CID 135929097) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-1H-indole
PubChem CID135929097
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-1H-indole
SMILESCc1cc(-c2cc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C12H11N3/c1-8-6-12(15-14-8)11-7-9-4-2-3-5-10(9)13-11/h2-7,13H,1H3,(H,14,15)
InChIKeyYLKJJERCKRGNPB-UHFFFAOYSA-N
XLogP2.87
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
3-(1H-indol-2-yl)-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-indazole
CID 135418209
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102
5-methyl-N-(2-methylpropyl)-3-phenyl-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 20040888
2-(1H-indol-2-ylmethyl)-1H-indole
CID 10752953
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]propanehydrazide
CID 135606750
1-(1H-indol-2-yl)-2-methylpropan-2-amine
CID 134534
2-(2-Aminophenyl)indole
CID 735966
5-Methyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene
CID 135929094
5-Cyclopropyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene
CID 135929095

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole (CID 135929097) is 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole is Cc1cc(-c2cc3ccccc3[nH]2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole?
The InChIKey is YLKJJERCKRGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-8-6-12(15-14-8)11-7-9-4-2-3-5-10(9)13-11/h2-7,13H,1H3,(H,14,15).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole?
2-(5-methyl-1H-pyrazol-3-yl)-1H-indole has a molecular weight of 197.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-1H-indole is sourced from PubChem (CID 135929097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).