(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine

C11H17N3 — CID 143740810

IUPAC(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/NC)c1c(C)nn(C)c1C
InChIInChI=1S/C11H17N3/c1-6-7-10(12-4)11-8(2)13-14(5)9(11)3/h6-7,12H,1H2,2-5H3/b10-7+
InChIKeyGFHALNFBFARSLW-JXMROGBWSA-N
MW191.28 g/mol
LogP1.78
Rot. Bonds3

About (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine

(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine (PubChem CID 143740810) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine
PubChem CID143740810
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/NC)c1c(C)nn(C)c1C
InChIInChI=1S/C11H17N3/c1-6-7-10(12-4)11-8(2)13-14(5)9(11)3/h6-7,12H,1H2,2-5H3/b10-7+
InChIKeyGFHALNFBFARSLW-JXMROGBWSA-N
XLogP1.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine (CID 143740810) is (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine is C=C/C=C(/NC)c1c(C)nn(C)c1C.
What is the InChIKey of (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine?
The InChIKey is GFHALNFBFARSLW-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-7-10(12-4)11-8(2)13-14(5)9(11)3/h6-7,12H,1H2,2-5H3/b10-7+.
What are the key properties of (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine?
(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 143740810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).