2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine

C14H25N3 — CID 83093792

IUPAC2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cn(C)nc1C(C)(C)C)CNC
InChIInChI=1S/C14H25N3/c1-7-11(9-15-5)8-12-10-17(6)16-13(12)14(2,3)4/h8,10,15H,7,9H2,1-6H3
InChIKeyLZWZNPPDSMIVGD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.73
Rot. Bonds4

About 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine (PubChem CID 83093792) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
PubChem CID83093792
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1cn(C)nc1C(C)(C)C)CNC
InChIInChI=1S/C14H25N3/c1-7-11(9-15-5)8-12-10-17(6)16-13(12)14(2,3)4/h8,10,15H,7,9H2,1-6H3
InChIKeyLZWZNPPDSMIVGD-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 83094731
4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093204
3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 83094104
3-tert-butyl-4-[(E)-3-chloroprop-1-enyl]-1-methylpyrazole
CID 83094187
3-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 83094821
(E)-4-(3-tert-butyl-1-methylpyrazol-4-yl)but-3-en-2-ol
CID 103971165
(E)-4-(3-tert-butyl-1-methylpyrazol-4-yl)but-3-en-2-one
CID 83094881
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 103571007
3-tert-butyl-4-chloro-1-methylpyrazole
CID 58331974
2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine
CID 79329414
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 83082371
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-ethylamino]acetic acid
CID 83095265

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine (CID 83093792) is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine is CCC(=Cc1cn(C)nc1C(C)(C)C)CNC.
What is the InChIKey of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
The InChIKey is LZWZNPPDSMIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-7-11(9-15-5)8-12-10-17(6)16-13(12)14(2,3)4/h8,10,15H,7,9H2,1-6H3.
What are the key properties of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine?
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 83093792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).