1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine

C17H23N5 — CID 123278088

IUPAC1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine
SMILESC=CC(=CC(=CC)c1cnn(CC)c1)Cn1ncc(C)c1N
InChIInChI=1S/C17H23N5/c1-5-14(11-22-17(18)13(4)9-20-22)8-15(6-2)16-10-19-21(7-3)12-16/h5-6,8-10,12H,1,7,11,18H2,2-4H3
InChIKeyBSACRQUQYAFRIX-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.21
Rot. Bonds6

About 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine

1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine (PubChem CID 123278088) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine
PubChem CID123278088
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine
SMILESC=CC(=CC(=CC)c1cnn(CC)c1)Cn1ncc(C)c1N
InChIInChI=1S/C17H23N5/c1-5-14(11-22-17(18)13(4)9-20-22)8-15(6-2)16-10-19-21(7-3)12-16/h5-6,8-10,12H,1,7,11,18H2,2-4H3
InChIKeyBSACRQUQYAFRIX-UHFFFAOYSA-N
XLogP3.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-pent-1-enylpyrazol-5-amine
CID 123377825
4-[(Z)-5-cyclohepta-1,3,6-trien-1-yl-1-iminopent-2-en-2-yl]-1-ethanimidoylpyrazol-5-amine
CID 123937238
1-[4-[1-(2-Methylhepta-1,3,5-trien-4-yl)pyrazol-4-yl]-5-(methylideneamino)pyrazol-1-yl]ethanimine
CID 123959882
ethane;N-ethyl-1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pyrazol-5-amine
CID 144717413
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine
CID 145048729
1-methyl-4-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]pyrazol-5-amine
CID 167182922
N-[4-[(2Z,4E)-5-prop-1-en-2-yldeca-2,4,6,9-tetraen-4-yl]-1-prop-1-ynylpyrazol-5-yl]methanimine
CID 169815724
N-[2-[(E)-2-(1-ethylpyrazol-4-yl)prop-1-enyl]pyrazol-3-yl]methanimine
CID 174177974
4-methyl-1-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-pyrazol-5-amine
CID 61792090
1-[1-(1-Ethylpyrazol-4-yl)ethyl]-4-methylpyrazol-5-amine
CID 61792091
4-methyl-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazol-5-amine
CID 93994010
4-methyl-1-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]pyrazol-5-amine
CID 93994011

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine (CID 123278088) is 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine is C=CC(=CC(=CC)c1cnn(CC)c1)Cn1ncc(C)c1N.
What is the InChIKey of 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine?
The InChIKey is BSACRQUQYAFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-5-14(11-22-17(18)13(4)9-20-22)8-15(6-2)16-10-19-21(7-3)12-16/h5-6,8-10,12H,1,7,11,18H2,2-4H3.
What are the key properties of 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine?
1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine has a molecular weight of 297.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethenyl-4-(1-ethylpyrazol-4-yl)hexa-2,4-dienyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 123278088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).