1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

C11H17N5 — CID 83217219

IUPAC1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCCn1cc(N)c(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H17N5/c1-5-16-6-9(12)11(14-16)10-7(2)13-15(4)8(10)3/h6H,5,12H2,1-4H3
InChIKeyXSJJYFQISNIPQH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.50
Rot. Bonds2

About 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 83217219) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
PubChem CID83217219
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCCn1cc(N)c(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H17N5/c1-5-16-6-9(12)11(14-16)10-7(2)13-15(4)8(10)3/h6H,5,12H2,1-4H3
InChIKeyXSJJYFQISNIPQH-UHFFFAOYSA-N
XLogP1.50
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (CID 83217219) is 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is CCn1cc(N)c(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is XSJJYFQISNIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-5-16-6-9(12)11(14-16)10-7(2)13-15(4)8(10)3/h6H,5,12H2,1-4H3.
What are the key properties of 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 83217219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).