2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

C20H20N4 — CID 83987634

IUPAC2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCn1cc(C(CN)c2cc(-c3ccccc3)n[nH]2)c2ccccc21
InChIInChI=1S/C20H20N4/c1-24-13-17(15-9-5-6-10-20(15)24)16(12-21)19-11-18(22-23-19)14-7-3-2-4-8-14/h2-11,13,16H,12,21H2,1H3,(H,22,23)
InChIKeyOHYRIGMOVLYDEJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.66
Rot. Bonds4

About 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83987634) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
PubChem CID83987634
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCn1cc(C(CN)c2cc(-c3ccccc3)n[nH]2)c2ccccc21
InChIInChI=1S/C20H20N4/c1-24-13-17(15-9-5-6-10-20(15)24)16(12-21)19-11-18(22-23-19)14-7-3-2-4-8-14/h2-11,13,16H,12,21H2,1H3,(H,22,23)
InChIKeyOHYRIGMOVLYDEJ-UHFFFAOYSA-N
XLogP3.66
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (CID 83987634) is 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is Cn1cc(C(CN)c2cc(-c3ccccc3)n[nH]2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is OHYRIGMOVLYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-24-13-17(15-9-5-6-10-20(15)24)16(12-21)19-11-18(22-23-19)14-7-3-2-4-8-14/h2-11,13,16H,12,21H2,1H3,(H,22,23).
What are the key properties of 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 316.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83987634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).