4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine

C11H15N3 — CID 145048729

IUPAC4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine
SMILESC=C/C=C\C(=C/C)c1cnn(C)c1N
InChIInChI=1S/C11H15N3/c1-4-6-7-9(5-2)10-8-13-14(3)11(10)12/h4-8H,1,12H2,2-3H3/b7-6-,9-5+
InChIKeyBRNDMLLJZXNYJQ-QRLJIZSYSA-N
MW189.26 g/mol
LogP2.15
Rot. Bonds3

About 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine

4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine (PubChem CID 145048729) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine
PubChem CID145048729
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine
SMILESC=C/C=C\C(=C/C)c1cnn(C)c1N
InChIInChI=1S/C11H15N3/c1-4-6-7-9(5-2)10-8-13-14(3)11(10)12/h4-8H,1,12H2,2-3H3/b7-6-,9-5+
InChIKeyBRNDMLLJZXNYJQ-QRLJIZSYSA-N
XLogP2.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.15
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

4-isopropyl-1-methyl-1H-pyrazol-5-amine
CID 20823874
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540
4-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrazole
CID 145324663
4-Ethyl-1-methyl-1H-pyrazol-5-amine
CID 22456644
4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine
CID 58077624
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpyrazole
CID 87095981
(Z)-2-(1-methyl-3-nitrosopyrazol-4-yl)but-2-ene-1,4-diimine
CID 88992512
(1Z,3E)-2-methyl-4-(1-methylpyrazol-4-yl)hexa-1,3,5-trien-1-amine
CID 89166861
4-Cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine
CID 90169153
N,1-dimethyl-4-prop-1-en-2-ylpyrazol-5-amine
CID 91044586
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951928
(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951930

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine (CID 145048729) is 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine is C=C/C=C\C(=C/C)c1cnn(C)c1N.
What is the InChIKey of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is BRNDMLLJZXNYJQ-QRLJIZSYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-6-7-9(5-2)10-8-13-14(3)11(10)12/h4-8H,1,12H2,2-3H3/b7-6-,9-5+.
What are the key properties of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine?
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 145048729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).