(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine

C10H17N3 — CID 103091900

IUPAC(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
SMILESCCn1nccc1/C=C(/C)C(C)N
InChIInChI=1S/C10H17N3/c1-4-13-10(5-6-12-13)7-8(2)9(3)11/h5-7,9H,4,11H2,1-3H3/b8-7-
InChIKeyHAGOKXCCLGCPCM-FPLPWBNLSA-N
MW179.27 g/mol
LogP1.65
Rot. Bonds3

About (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine

(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine (PubChem CID 103091900) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
PubChem CID103091900
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
SMILESCCn1nccc1/C=C(/C)C(C)N
InChIInChI=1S/C10H17N3/c1-4-13-10(5-6-12-13)7-8(2)9(3)11/h5-7,9H,4,11H2,1-3H3/b8-7-
InChIKeyHAGOKXCCLGCPCM-FPLPWBNLSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093737
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 114558286
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
CID 114558316
2-ethylpyrazole-3-carbaldehyde
CID 7009534
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 114557615
5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231
3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
CID 130574269
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
CID 103091534
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
CID 114558242

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine?
The IUPAC name of (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine (CID 103091900) is (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine is CCn1nccc1/C=C(/C)C(C)N.
What is the InChIKey of (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine?
The InChIKey is HAGOKXCCLGCPCM-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-13-10(5-6-12-13)7-8(2)9(3)11/h5-7,9H,4,11H2,1-3H3/b8-7-.
What are the key properties of (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine?
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103091900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).