1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine

C11H19N3 — CID 102804044

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1cn(C)nc1C
InChIInChI=1S/C11H19N3/c1-8(2)6-11(12-4)10-7-14(5)13-9(10)3/h6-7,11-12H,1-5H3
InChIKeyATDBIVDBYKGKPQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.96
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine

1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 102804044) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
PubChem CID102804044
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1cn(C)nc1C
InChIInChI=1S/C11H19N3/c1-8(2)6-11(12-4)10-7-14(5)13-9(10)3/h6-7,11-12H,1-5H3
InChIKeyATDBIVDBYKGKPQ-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine (CID 102804044) is 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine is CNC(C=C(C)C)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is ATDBIVDBYKGKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)6-11(12-4)10-7-14(5)13-9(10)3/h6-7,11-12H,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 102804044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).