(E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine

C12H21N3 — CID 112671592

IUPAC(E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCCc1nn(C)cc1/C=C/CNC(C)C
InChIInChI=1S/C12H21N3/c1-5-12-11(9-15(4)14-12)7-6-8-13-10(2)3/h6-7,9-10,13H,5,8H2,1-4H3/b7-6+
InChIKeyLJTBBJOXYDBFJH-VOTSOKGWSA-N
MW207.32 g/mol
LogP1.99
Rot. Bonds5

About (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine

(E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 112671592) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID112671592
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCCc1nn(C)cc1/C=C/CNC(C)C
InChIInChI=1S/C12H21N3/c1-5-12-11(9-15(4)14-12)7-6-8-13-10(2)3/h6-7,9-10,13H,5,8H2,1-4H3/b7-6+
InChIKeyLJTBBJOXYDBFJH-VOTSOKGWSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 112671587
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
CID 103908973
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
CID 79347050
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
CID 112669727
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 112668454
N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine (CID 112671592) is (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine is CCc1nn(C)cc1/C=C/CNC(C)C.
What is the InChIKey of (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is LJTBBJOXYDBFJH-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12-11(9-15(4)14-12)7-6-8-13-10(2)3/h6-7,9-10,13H,5,8H2,1-4H3/b7-6+.
What are the key properties of (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine?
(E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 112671592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).