2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine

C13H23N3O — CID 104860915

IUPAC2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1c(C)nn(C)c1OC)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)11(8-14-4)7-12-10(3)15-16(5)13(12)17-6/h7,9,14H,8H2,1-6H3
InChIKeyRIBHNLDUFFAEBO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.00
Rot. Bonds5

About 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine (PubChem CID 104860915) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine
PubChem CID104860915
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1c(C)nn(C)c1OC)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)11(8-14-4)7-12-10(3)15-16(5)13(12)17-6/h7,9,14H,8H2,1-6H3
InChIKeyRIBHNLDUFFAEBO-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine
CID 104860921
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 104860914
[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylideneamino]thiourea
CID 104860902
pent-4-yn-2-yl 5-methoxy-1,3-dimethylpyrazole-4-carboxylate
CID 71859605
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 113381760
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
5-methoxy-1,3-dimethylpyrazole-4-carbothioamide
CID 63756722
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 115608261
methyl 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetate
CID 113463447
2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
CID 82660664
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol
CID 107892711
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118536

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine (CID 104860915) is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine is CNCC(=Cc1c(C)nn(C)c1OC)C(C)C.
What is the InChIKey of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine?
The InChIKey is RIBHNLDUFFAEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)11(8-14-4)7-12-10(3)15-16(5)13(12)17-6/h7,9,14H,8H2,1-6H3.
What are the key properties of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine?
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 104860915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).