1-(2-indol-1-ylethyl)pyrazol-4-amine

C13H14N4 — CID 62138266

IUPAC1-(2-indol-1-ylethyl)pyrazol-4-amine
SMILESNc1cnn(CCn2ccc3ccccc32)c1
InChIInChI=1S/C13H14N4/c14-12-9-15-17(10-12)8-7-16-6-5-11-3-1-2-4-13(11)16/h1-6,9-10H,7-8,14H2
InChIKeyOJQGQLVLTYDRHU-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-indol-1-ylethyl)pyrazol-4-amine

1-(2-indol-1-ylethyl)pyrazol-4-amine (PubChem CID 62138266) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-indol-1-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-indol-1-ylethyl)pyrazol-4-amine
PubChem CID62138266
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-(2-indol-1-ylethyl)pyrazol-4-amine
SMILESNc1cnn(CCn2ccc3ccccc32)c1
InChIInChI=1S/C13H14N4/c14-12-9-15-17(10-12)8-7-16-6-5-11-3-1-2-4-13(11)16/h1-6,9-10H,7-8,14H2
InChIKeyOJQGQLVLTYDRHU-UHFFFAOYSA-N
XLogP2.12
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-indol-1-ylethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-indol-1-ylethyl)pyrazol-4-amine (CID 62138266) is 1-(2-indol-1-ylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-indol-1-ylethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-indol-1-ylethyl)pyrazol-4-amine is Nc1cnn(CCn2ccc3ccccc32)c1.
What is the InChIKey of 1-(2-indol-1-ylethyl)pyrazol-4-amine?
The InChIKey is OJQGQLVLTYDRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-12-9-15-17(10-12)8-7-16-6-5-11-3-1-2-4-13(11)16/h1-6,9-10H,7-8,14H2.
What are the key properties of 1-(2-indol-1-ylethyl)pyrazol-4-amine?
1-(2-indol-1-ylethyl)pyrazol-4-amine has a molecular weight of 226.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-indol-1-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 62138266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).