(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine

C17H22N4 — CID 95221915

IUPAC(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1cc2ccccc2n1CCN[C@@H](C)Cn1cccn1
InChIInChI=1S/C17H22N4/c1-14(13-20-10-5-8-19-20)18-9-11-21-15(2)12-16-6-3-4-7-17(16)21/h3-8,10,12,14,18H,9,11,13H2,1-2H3/t14-/m0/s1
InChIKeyCZSWZXAWNALSNC-AWEZNQCLSA-N
MW282.39 g/mol
LogP2.82
Rot. Bonds6

About (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95221915) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95221915
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1cc2ccccc2n1CCN[C@@H](C)Cn1cccn1
InChIInChI=1S/C17H22N4/c1-14(13-20-10-5-8-19-20)18-9-11-21-15(2)12-16-6-3-4-7-17(16)21/h3-8,10,12,14,18H,9,11,13H2,1-2H3/t14-/m0/s1
InChIKeyCZSWZXAWNALSNC-AWEZNQCLSA-N
XLogP2.82
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine (CID 95221915) is (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine is Cc1cc2ccccc2n1CCN[C@@H](C)Cn1cccn1.
What is the InChIKey of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is CZSWZXAWNALSNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4/c1-14(13-20-10-5-8-19-20)18-9-11-21-15(2)12-16-6-3-4-7-17(16)21/h3-8,10,12,14,18H,9,11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95221915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).