4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine

C13H23N3 — CID 103093737

IUPAC4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)C(C)=Cc1ccnn1CC
InChIInChI=1S/C13H23N3/c1-5-8-14-12(4)11(3)10-13-7-9-15-16(13)6-2/h7,9-10,12,14H,5-6,8H2,1-4H3
InChIKeyYEJWSCXIFQSOHO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.69
Rot. Bonds6

About 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine

4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103093737) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103093737
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)C(C)=Cc1ccnn1CC
InChIInChI=1S/C13H23N3/c1-5-8-14-12(4)11(3)10-13-7-9-15-16(13)6-2/h7,9-10,12,14H,5-6,8H2,1-4H3
InChIKeyYEJWSCXIFQSOHO-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 114558286
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
CID 114558316
5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231
(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093674
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
CID 103093597
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
2-ethylpyrazole-3-carbaldehyde
CID 7009534

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine (CID 103093737) is 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine is CCCNC(C)C(C)=Cc1ccnn1CC.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is YEJWSCXIFQSOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-14-12(4)11(3)10-13-7-9-15-16(13)6-2/h7,9-10,12,14H,5-6,8H2,1-4H3.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine?
4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).