1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine

C17H22N4 — CID 103015092

IUPAC1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(CCc3ccnn3C)c2c1
InChIInChI=1S/C17H22N4/c1-13(18)11-14-3-4-15-6-9-21(17(15)12-14)10-7-16-5-8-19-20(16)2/h3-6,8-9,12-13H,7,10-11,18H2,1-2H3
InChIKeyBQVCFESFYHOSSP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.51
Rot. Bonds5

About 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine (PubChem CID 103015092) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
PubChem CID103015092
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(CCc3ccnn3C)c2c1
InChIInChI=1S/C17H22N4/c1-13(18)11-14-3-4-15-6-9-21(17(15)12-14)10-7-16-5-8-19-20(16)2/h3-6,8-9,12-13H,7,10-11,18H2,1-2H3
InChIKeyBQVCFESFYHOSSP-UHFFFAOYSA-N
XLogP2.51
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
CID 103002337
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
CID 103020461

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine (CID 103015092) is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine is CC(N)Cc1ccc2ccn(CCc3ccnn3C)c2c1.
What is the InChIKey of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine?
The InChIKey is BQVCFESFYHOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13(18)11-14-3-4-15-6-9-21(17(15)12-14)10-7-16-5-8-19-20(16)2/h3-6,8-9,12-13H,7,10-11,18H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine?
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine is sourced from PubChem (CID 103015092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).