1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine

C8H16N4 — CID 67759698

IUPAC1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine
SMILESCCNCc1nn(CC)cc1N
InChIInChI=1S/C8H16N4/c1-3-10-5-8-7(9)6-12(4-2)11-8/h6,10H,3-5,9H2,1-2H3
InChIKeyIMYHFALIDAMQIW-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.59
Rot. Bonds4

About 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine

1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine (PubChem CID 67759698) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine
PubChem CID67759698
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine
SMILESCCNCc1nn(CC)cc1N
InChIInChI=1S/C8H16N4/c1-3-10-5-8-7(9)6-12(4-2)11-8/h6,10H,3-5,9H2,1-2H3
InChIKeyIMYHFALIDAMQIW-UHFFFAOYSA-N
XLogP0.59
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine (CID 67759698) is 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine is CCNCc1nn(CC)cc1N.
What is the InChIKey of 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine?
The InChIKey is IMYHFALIDAMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-10-5-8-7(9)6-12(4-2)11-8/h6,10H,3-5,9H2,1-2H3.
What are the key properties of 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine?
1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(ethylaminomethyl)pyrazol-4-amine is sourced from PubChem (CID 67759698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).