1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine

C11H17N3 — CID 134478330

IUPAC1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine
SMILESC=Cc1cn(C(C)N)nc1C=C(C)C
InChIInChI=1S/C11H17N3/c1-5-10-7-14(9(4)12)13-11(10)6-8(2)3/h5-7,9H,1,12H2,2-4H3
InChIKeyNKEQIYYMBRZNDS-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.43
Rot. Bonds3

About 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine

1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine (PubChem CID 134478330) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine
PubChem CID134478330
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine
SMILESC=Cc1cn(C(C)N)nc1C=C(C)C
InChIInChI=1S/C11H17N3/c1-5-10-7-14(9(4)12)13-11(10)6-8(2)3/h5-7,9H,1,12H2,2-4H3
InChIKeyNKEQIYYMBRZNDS-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine (CID 134478330) is 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine is C=Cc1cn(C(C)N)nc1C=C(C)C.
What is the InChIKey of 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine?
The InChIKey is NKEQIYYMBRZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-10-7-14(9(4)12)13-11(10)6-8(2)3/h5-7,9H,1,12H2,2-4H3.
What are the key properties of 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine?
1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine has a molecular weight of 191.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 134478330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).