1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine

C14H16N4 — CID 103002337

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
SMILESCn1nccc1CCn1ccc2cc(N)ccc21
InChIInChI=1S/C14H16N4/c1-17-13(4-7-16-17)6-9-18-8-5-11-10-12(15)2-3-14(11)18/h2-5,7-8,10H,6,9,15H2,1H3
InChIKeyWYOPFDYYZNTBSB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine

1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine (PubChem CID 103002337) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
PubChem CID103002337
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
SMILESCn1nccc1CCn1ccc2cc(N)ccc21
InChIInChI=1S/C14H16N4/c1-17-13(4-7-16-17)6-9-18-8-5-11-10-12(15)2-3-14(11)18/h2-5,7-8,10H,6,9,15H2,1H3
InChIKeyWYOPFDYYZNTBSB-UHFFFAOYSA-N
XLogP2.20
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
2-(5-aminoindol-1-yl)ethanol
CID 43165354
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline
CID 103002374
1-(4-phenylbutyl)indol-5-amine
CID 114333583
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
1-(3-morpholin-4-ylpropyl)indol-5-amine
CID 170992123
1-(3-methoxy-3-methylbutyl)indol-5-amine
CID 103033678
3-chloro-4-[2-(2-methylpyrazol-3-yl)ethylsulfonyl]aniline
CID 103020353
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
CID 103015554
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine (CID 103002337) is 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine is Cn1nccc1CCn1ccc2cc(N)ccc21.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine?
The InChIKey is WYOPFDYYZNTBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17-13(4-7-16-17)6-9-18-8-5-11-10-12(15)2-3-14(11)18/h2-5,7-8,10H,6,9,15H2,1H3.
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine?
1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine has a molecular weight of 240.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine is sourced from PubChem (CID 103002337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).