1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine

C14H18N4 — CID 103005351

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine
SMILESCn1cc(CCN2CCc3cccc(N)c32)cn1
InChIInChI=1S/C14H18N4/c1-17-10-11(9-16-17)5-7-18-8-6-12-3-2-4-13(15)14(12)18/h2-4,9-10H,5-8,15H2,1H3
InChIKeyLGKQXBGSKLNFAS-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.61
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine

1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine (PubChem CID 103005351) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine
PubChem CID103005351
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine
SMILESCn1cc(CCN2CCc3cccc(N)c32)cn1
InChIInChI=1S/C14H18N4/c1-17-10-11(9-16-17)5-7-18-8-6-12-3-2-4-13(15)14(12)18/h2-4,9-10H,5-8,15H2,1H3
InChIKeyLGKQXBGSKLNFAS-UHFFFAOYSA-N
XLogP1.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 103857929
2-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686573
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 65444601
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456381
1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815442
1-hept-6-enyl-2,3-dihydroindol-7-amine
CID 107008081
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802051

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine (CID 103005351) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine is Cn1cc(CCN2CCc3cccc(N)c32)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine?
The InChIKey is LGKQXBGSKLNFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-10-11(9-16-17)5-7-18-8-6-12-3-2-4-13(15)14(12)18/h2-4,9-10H,5-8,15H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine?
1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine has a molecular weight of 242.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 103005351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).