(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine

C19H26BrN3 — CID 143441934

IUPAC(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine
SMILESC=C/C=C\C(C)=C(/C)C(=C)C=CC(NCC)n1ncc(Br)c1C
InChIInChI=1S/C19H26BrN3/c1-7-9-10-14(3)16(5)15(4)11-12-19(21-8-2)23-17(6)18(20)13-22-23/h7,9-13,19,21H,1,4,8H2,2-3,5-6H3/b10-9-,12-11?,16-14+
InChIKeyJXFGQGRSSXVWPA-VWXZIYRWSA-N
MW376.34 g/mol
LogP5.25
Rot. Bonds8

About (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine

(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine (PubChem CID 143441934) has the molecular formula C19H26BrN3 and a molecular weight of 376.34 g/mol. Its IUPAC name is (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine.

Molecular Properties

Compound Name(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine
PubChem CID143441934
Molecular FormulaC19H26BrN3
Molecular Weight376.34 g/mol
Exact Mass375.13
IUPAC Name(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine
SMILESC=C/C=C\C(C)=C(/C)C(=C)C=CC(NCC)n1ncc(Br)c1C
InChIInChI=1S/C19H26BrN3/c1-7-9-10-14(3)16(5)15(4)11-12-19(21-8-2)23-17(6)18(20)13-22-23/h7,9-13,19,21H,1,4,8H2,2-3,5-6H3/b10-9-,12-11?,16-14+
InChIKeyJXFGQGRSSXVWPA-VWXZIYRWSA-N
XLogP5.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-Ethenyl-3-(2-methylprop-1-enyl)pyrazol-1-yl]ethanamine
CID 134478330
(1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine
CID 137450494
(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide
CID 143441933
(1Z)-3-N-butyl-1-(4,5-dimethylpyrazol-1-yl)-1-N-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]buta-1,3-diene-1,3-diamine;2-methylhex-1-ene
CID 145500693
(E)-4-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethylbut-3-en-1-amine
CID 113614608
(E)-4-(4-bromo-1-propylpyrazol-5-yl)-N-propylbut-3-en-1-amine
CID 113614610
(E)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylbut-3-en-1-amine
CID 113614613
N-[(E)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)but-3-enyl]cyclopropanamine
CID 113614618
(E)-4-(4-bromo-1-propylpyrazol-5-yl)-N-tert-butylbut-3-en-1-amine
CID 113614621
(E)-4-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 113614624
(E)-4-(4-bromo-1-ethylpyrazol-5-yl)but-3-en-1-amine
CID 114666167
(E)-4-(4-bromo-1-methylpyrazol-5-yl)but-3-en-1-amine
CID 114666172

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine?
The IUPAC name of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine (CID 143441934) is (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine.
What is the SMILES notation for (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine?
The canonical SMILES for (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine is C=C/C=C\C(C)=C(/C)C(=C)C=CC(NCC)n1ncc(Br)c1C.
What is the InChIKey of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine?
The InChIKey is JXFGQGRSSXVWPA-VWXZIYRWSA-N. The full InChI is InChI=1S/C19H26BrN3/c1-7-9-10-14(3)16(5)15(4)11-12-19(21-8-2)23-17(6)18(20)13-22-23/h7,9-13,19,21H,1,4,8H2,2-3,5-6H3/b10-9-,12-11?,16-14+.
What are the key properties of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine?
(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine has a molecular weight of 376.34 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine is sourced from PubChem (CID 143441934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).