[1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone

C20H20N4O — CID 166363136

IUPAC[1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESNCCn1cc(C(=O)N2CC(c3ccccc3)c3ccccc32)cn1
InChIInChI=1S/C20H20N4O/c21-10-11-23-13-16(12-22-23)20(25)24-14-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-9,12-13,18H,10-11,14,21H2
InChIKeyWGGXKXLOYXVMSR-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.63
Rot. Bonds4

About [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone

[1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 166363136) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID166363136
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESNCCn1cc(C(=O)N2CC(c3ccccc3)c3ccccc32)cn1
InChIInChI=1S/C20H20N4O/c21-10-11-23-13-16(12-22-23)20(25)24-14-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-9,12-13,18H,10-11,14,21H2
InChIKeyWGGXKXLOYXVMSR-UHFFFAOYSA-N
XLogP2.63
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone (CID 166363136) is [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone is NCCn1cc(C(=O)N2CC(c3ccccc3)c3ccccc32)cn1.
What is the InChIKey of [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is WGGXKXLOYXVMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-10-11-23-13-16(12-22-23)20(25)24-14-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-9,12-13,18H,10-11,14,21H2.
What are the key properties of [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone?
[1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)pyrazol-4-yl]-(3-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 166363136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).