1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine

C14H16N4 — CID 102909482

IUPAC1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
SMILESCCn1cc(NCc2ccc3cc[nH]c3c2)cn1
InChIInChI=1S/C14H16N4/c1-2-18-10-13(9-17-18)16-8-11-3-4-12-5-6-15-14(12)7-11/h3-7,9-10,15-16H,2,8H2,1H3
InChIKeyLPYRFOGDKDZHMC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.00
Rot. Bonds4

About 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine

1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine (PubChem CID 102909482) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
PubChem CID102909482
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
SMILESCCn1cc(NCc2ccc3cc[nH]c3c2)cn1
InChIInChI=1S/C14H16N4/c1-2-18-10-13(9-17-18)16-8-11-3-4-12-5-6-15-14(12)7-11/h3-7,9-10,15-16H,2,8H2,1H3
InChIKeyLPYRFOGDKDZHMC-UHFFFAOYSA-N
XLogP3.00
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine (CID 102909482) is 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine is CCn1cc(NCc2ccc3cc[nH]c3c2)cn1.
What is the InChIKey of 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine?
The InChIKey is LPYRFOGDKDZHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-18-10-13(9-17-18)16-8-11-3-4-12-5-6-15-14(12)7-11/h3-7,9-10,15-16H,2,8H2,1H3.
What are the key properties of 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine?
1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine has a molecular weight of 240.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 102909482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).