(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

C12H21N3 — CID 114558286

IUPAC(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCCn1nccc1/C=C(/C)CNC(C)C
InChIInChI=1S/C12H21N3/c1-5-15-12(6-7-14-15)8-11(4)9-13-10(2)3/h6-8,10,13H,5,9H2,1-4H3/b11-8-
InChIKeyZMZLTXRBBJKIKC-FLIBITNWSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds5

About (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 114558286) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID114558286
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCCn1nccc1/C=C(/C)CNC(C)C
InChIInChI=1S/C12H21N3/c1-5-15-12(6-7-14-15)8-11(4)9-13-10(2)3/h6-8,10,13H,5,9H2,1-4H3/b11-8-
InChIKeyZMZLTXRBBJKIKC-FLIBITNWSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylpyrazol-3-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104939383
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093737
(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-ethylpyrazol-3-yl)but-3-en-2-ol
CID 114558316
2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 104939533
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
CID 114558242
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
2-ethylpyrazole-3-carbaldehyde
CID 7009534
3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 114558286) is (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is CCn1nccc1/C=C(/C)CNC(C)C.
What is the InChIKey of (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is ZMZLTXRBBJKIKC-FLIBITNWSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-15-12(6-7-14-15)8-11(4)9-13-10(2)3/h6-8,10,13H,5,9H2,1-4H3/b11-8-.
What are the key properties of (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 114558286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).