5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine

C12H23N3 — CID 115757165

IUPAC5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC(CC)CC)c1C
InChIInChI=1S/C12H23N3/c1-5-10(6-2)8-13-12-9(4)11(7-3)14-15-12/h10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeySPYYXAWPJHUIDF-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.13
Rot. Bonds6

About 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine

5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 115757165) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine
PubChem CID115757165
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC(CC)CC)c1C
InChIInChI=1S/C12H23N3/c1-5-10(6-2)8-13-12-9(4)11(7-3)14-15-12/h10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeySPYYXAWPJHUIDF-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine (CID 115757165) is 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine is CCc1[nH]nc(NCC(CC)CC)c1C.
What is the InChIKey of 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is SPYYXAWPJHUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-10(6-2)8-13-12-9(4)11(7-3)14-15-12/h10H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine?
5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 115757165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).