2-ethyl-N-pentan-3-ylpyrazol-3-amine

C10H19N3 — CID 66733325

IUPAC2-ethyl-N-pentan-3-ylpyrazol-3-amine
SMILESCCC(CC)Nc1ccnn1CC
InChIInChI=1S/C10H19N3/c1-4-9(5-2)12-10-7-8-11-13(10)6-3/h7-9,12H,4-6H2,1-3H3
InChIKeyZMFMYMNLMCMAGB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.50
Rot. Bonds5

About 2-ethyl-N-pentan-3-ylpyrazol-3-amine

2-ethyl-N-pentan-3-ylpyrazol-3-amine (PubChem CID 66733325) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-ethyl-N-pentan-3-ylpyrazol-3-amine.

Molecular Properties

Compound Name2-ethyl-N-pentan-3-ylpyrazol-3-amine
PubChem CID66733325
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-ethyl-N-pentan-3-ylpyrazol-3-amine
SMILESCCC(CC)Nc1ccnn1CC
InChIInChI=1S/C10H19N3/c1-4-9(5-2)12-10-7-8-11-13(10)6-3/h7-9,12H,4-6H2,1-3H3
InChIKeyZMFMYMNLMCMAGB-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pentan-3-ylpyrazol-3-amine?
The IUPAC name of 2-ethyl-N-pentan-3-ylpyrazol-3-amine (CID 66733325) is 2-ethyl-N-pentan-3-ylpyrazol-3-amine.
What is the SMILES notation for 2-ethyl-N-pentan-3-ylpyrazol-3-amine?
The canonical SMILES for 2-ethyl-N-pentan-3-ylpyrazol-3-amine is CCC(CC)Nc1ccnn1CC.
What is the InChIKey of 2-ethyl-N-pentan-3-ylpyrazol-3-amine?
The InChIKey is ZMFMYMNLMCMAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-9(5-2)12-10-7-8-11-13(10)6-3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-N-pentan-3-ylpyrazol-3-amine?
2-ethyl-N-pentan-3-ylpyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pentan-3-ylpyrazol-3-amine is sourced from PubChem (CID 66733325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).