(E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine

C14H25N3 — CID 50978581

IUPAC(E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
SMILESC/C=C(\C)CN(C)CCCc1c(C)n[nH]c1C
InChIInChI=1S/C14H25N3/c1-6-11(2)10-17(5)9-7-8-14-12(3)15-16-13(14)4/h6H,7-10H2,1-5H3,(H,15,16)/b11-6+
InChIKeyFOAZQHBJWGLZIV-IZZDOVSWSA-N
MW235.37 g/mol
LogP2.86
Rot. Bonds6

About (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine

(E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine (PubChem CID 50978581) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
PubChem CID50978581
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
SMILESC/C=C(\C)CN(C)CCCc1c(C)n[nH]c1C
InChIInChI=1S/C14H25N3/c1-6-11(2)10-17(5)9-7-8-14-12(3)15-16-13(14)4/h6H,7-10H2,1-5H3,(H,15,16)/b11-6+
InChIKeyFOAZQHBJWGLZIV-IZZDOVSWSA-N
XLogP2.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine?
The IUPAC name of (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine (CID 50978581) is (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine?
The canonical SMILES for (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine is C/C=C(\C)CN(C)CCCc1c(C)n[nH]c1C.
What is the InChIKey of (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine?
The InChIKey is FOAZQHBJWGLZIV-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-11(2)10-17(5)9-7-8-14-12(3)15-16-13(14)4/h6H,7-10H2,1-5H3,(H,15,16)/b11-6+.
What are the key properties of (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine?
(E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine is sourced from PubChem (CID 50978581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).