2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine

C11H19N3 — CID 103571007

IUPAC2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cnn(CC)c1)CNC
InChIInChI=1S/C11H19N3/c1-4-10(7-12-3)6-11-8-13-14(5-2)9-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyJDDALKLHURWJNS-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.92
Rot. Bonds5

About 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine

2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine (PubChem CID 103571007) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
PubChem CID103571007
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cnn(CC)c1)CNC
InChIInChI=1S/C11H19N3/c1-4-10(7-12-3)6-11-8-13-14(5-2)9-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyJDDALKLHURWJNS-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
CID 103570991
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
CID 103571005
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 103571031
(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol
CID 103573573
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 103571015
2-[(1-methylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79330103
(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 103571039
N-methyl-3-(1-propylpyrazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170814132
2-[(4-bromo-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79329977
2-[(1-phenylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79329897

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine (CID 103571007) is 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine is CCC(=Cc1cnn(CC)c1)CNC.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
The InChIKey is JDDALKLHURWJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-10(7-12-3)6-11-8-13-14(5-2)9-11/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 103571007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).