(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine

C8H13N3 — CID 114557615

IUPAC(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
SMILESCCn1nccc1/C=C/CN
InChIInChI=1S/C8H13N3/c1-2-11-8(4-3-6-9)5-7-10-11/h3-5,7H,2,6,9H2,1H3/b4-3+
InChIKeyIHPWEZHVZTYLHE-ONEGZZNKSA-N
MW151.21 g/mol
LogP0.87
Rot. Bonds3

About (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine

(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine (PubChem CID 114557615) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
PubChem CID114557615
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
SMILESCCn1nccc1/C=C/CN
InChIInChI=1S/C8H13N3/c1-2-11-8(4-3-6-9)5-7-10-11/h3-5,7H,2,6,9H2,1H3/b4-3+
InChIKeyIHPWEZHVZTYLHE-ONEGZZNKSA-N
XLogP0.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpyrazole-3-carbaldehyde
CID 7009534
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
CID 114558316
(E)-1,3-bis(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553223
(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
CID 114558225
5-(4-chlorobut-1-enyl)-1-propylpyrazole
CID 79602926
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
CID 103091534
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
(E)-3-(2-ethylpyrazol-3-yl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557370
N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine
CID 114558274

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine (CID 114557615) is (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine is CCn1nccc1/C=C/CN.
What is the InChIKey of (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
The InChIKey is IHPWEZHVZTYLHE-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-11-8(4-3-6-9)5-7-10-11/h3-5,7H,2,6,9H2,1H3/b4-3+.
What are the key properties of (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine?
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 114557615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).