2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine

C14H16N4 — CID 82387850

IUPAC2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]ncc1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N4/c15-5-3-14-12(9-17-18-14)8-10-1-2-13-11(7-10)4-6-16-13/h1-2,4,6-7,9,16H,3,5,8,15H2,(H,17,18)
InChIKeyGSRBTAQNQHOGST-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine

2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 82387850) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID82387850
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]ncc1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N4/c15-5-3-14-12(9-17-18-14)8-10-1-2-13-11(7-10)4-6-16-13/h1-2,4,6-7,9,16H,3,5,8,15H2,(H,17,18)
InChIKeyGSRBTAQNQHOGST-UHFFFAOYSA-N
XLogP1.98
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine (CID 82387850) is 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine is NCCc1[nH]ncc1Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is GSRBTAQNQHOGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-5-3-14-12(9-17-18-14)8-10-1-2-13-11(7-10)4-6-16-13/h1-2,4,6-7,9,16H,3,5,8,15H2,(H,17,18).
What are the key properties of 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 240.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 82387850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).