3-(1-methylpyrazol-4-yl)-1H-indole

C12H11N3 — CID 118064780

IUPAC3-(1-methylpyrazol-4-yl)-1H-indole
SMILESCn1cc(-c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C12H11N3/c1-15-8-9(6-14-15)11-7-13-12-5-3-2-4-10(11)12/h2-8,13H,1H3
InChIKeyMZYHWKOUZBGZJF-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.57
Rot. Bonds1

About 3-(1-methylpyrazol-4-yl)-1H-indole

3-(1-methylpyrazol-4-yl)-1H-indole (PubChem CID 118064780) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1H-indole
PubChem CID118064780
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name3-(1-methylpyrazol-4-yl)-1H-indole
SMILESCn1cc(-c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C12H11N3/c1-15-8-9(6-14-15)11-7-13-12-5-3-2-4-10(11)12/h2-8,13H,1H3
InChIKeyMZYHWKOUZBGZJF-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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Related Compounds

3-(1-phenylpyrazol-4-yl)-1H-indole
CID 70687777
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]benzonitrile
CID 166626970
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55786929
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
methane;3-phenyl-1H-indole
CID 167711687
3-pyridin-4-yl-1H-indole
CID 159430533
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1H-indole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1H-indole (CID 118064780) is 3-(1-methylpyrazol-4-yl)-1H-indole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1H-indole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1H-indole is Cn1cc(-c2c[nH]c3ccccc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1H-indole?
The InChIKey is MZYHWKOUZBGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-15-8-9(6-14-15)11-7-13-12-5-3-2-4-10(11)12/h2-8,13H,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1H-indole?
3-(1-methylpyrazol-4-yl)-1H-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 3-(1-methylpyrazol-4-yl)-1H-indole is sourced from PubChem (CID 118064780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).