2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine

C9H15N3 — CID 20703290

IUPAC2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine
SMILESCCn1nccc1NC=C(C)C
InChIInChI=1S/C9H15N3/c1-4-12-9(5-6-11-12)10-7-8(2)3/h5-7,10H,4H2,1-3H3
InChIKeyHRGIZHPJXGWUCW-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.24
Rot. Bonds3

About 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine

2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine (PubChem CID 20703290) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine
PubChem CID20703290
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine
SMILESCCn1nccc1NC=C(C)C
InChIInChI=1S/C9H15N3/c1-4-12-9(5-6-11-12)10-7-8(2)3/h5-7,10H,4H2,1-3H3
InChIKeyHRGIZHPJXGWUCW-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine?
The IUPAC name of 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine (CID 20703290) is 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine?
The canonical SMILES for 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine is CCn1nccc1NC=C(C)C.
What is the InChIKey of 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine?
The InChIKey is HRGIZHPJXGWUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-12-9(5-6-11-12)10-7-8(2)3/h5-7,10H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine?
2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine has a molecular weight of 165.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylprop-1-enyl)pyrazol-3-amine is sourced from PubChem (CID 20703290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).