1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine

C11H21N3 — CID 63975113

IUPAC1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
SMILESCCn1nccc1C(N)CCC(C)C
InChIInChI=1S/C11H21N3/c1-4-14-11(7-8-13-14)10(12)6-5-9(2)3/h7-10H,4-6,12H2,1-3H3
InChIKeyWIOUYBFSUJSUIC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine

1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine (PubChem CID 63975113) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
PubChem CID63975113
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
SMILESCCn1nccc1C(N)CCC(C)C
InChIInChI=1S/C11H21N3/c1-4-14-11(7-8-13-14)10(12)6-5-9(2)3/h7-10H,4-6,12H2,1-3H3
InChIKeyWIOUYBFSUJSUIC-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine (CID 63975113) is 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine is CCn1nccc1C(N)CCC(C)C.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine?
The InChIKey is WIOUYBFSUJSUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-14-11(7-8-13-14)10(12)6-5-9(2)3/h7-10H,4-6,12H2,1-3H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine?
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 63975113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).