(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine

C24H32N4 — CID 143345771

IUPAC(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine
SMILESC=C(C)CC1=CCC(C(=C)NCC(=C)/C=C\C(C)=C(\C)CC)=Nc2ccnn21
InChIInChI=1S/C24H32N4/c1-8-19(5)20(6)10-9-18(4)16-25-21(7)23-12-11-22(15-17(2)3)28-24(27-23)13-14-26-28/h9-11,13-14,25H,2,4,7-8,12,15-16H2,1,3,5-6H3/b10-9-,20-19-
InChIKeyHMHGTOWEIUPFFJ-JMOFRJKPSA-N
MW376.55 g/mol
LogP6.13
Rot. Bonds9

About (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine

(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine (PubChem CID 143345771) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine
PubChem CID143345771
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine
SMILESC=C(C)CC1=CCC(C(=C)NCC(=C)/C=C\C(C)=C(\C)CC)=Nc2ccnn21
InChIInChI=1S/C24H32N4/c1-8-19(5)20(6)10-9-18(4)16-25-21(7)23-12-11-22(15-17(2)3)28-24(27-23)13-14-26-28/h9-11,13-14,25H,2,4,7-8,12,15-16H2,1,3,5-6H3/b10-9-,20-19-
InChIKeyHMHGTOWEIUPFFJ-JMOFRJKPSA-N
XLogP6.13
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine with MolForge

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Related Compounds

1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
CID 89178782
1-[(3Z,5Z)-5-(aminomethylidene)-6-methylhepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179233
1-[(3Z,5Z)-5-(aminomethylidene)hepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179239
2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
CID 89250424
1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine
CID 129195825
1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine
CID 135232660
(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene
CID 143345770
N'-[1-[4-bromo-5-[(E)-1-(2-methylcyclohepta-1,3,6-trien-1-yl)ethylideneamino]pyrazol-1-yl]ethyl]-N-methylbutane-1,4-diamine;6-[(2Z)-2-ethenylpenta-2,4-dienylidene]cyclohepta-1,3-diene
CID 143441839
N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine
CID 143803511
1-(2-Propan-2-yl-1,2-dihydropyridin-5-yl)pyrazol-3-amine
CID 143818183
(2E)-2-[2-(aminomethyl)pyrazol-3-yl]imino-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-N-ethylbut-3-en-1-amine;ethane
CID 143891200
ethane;(E,4Z)-6-methyl-3-methylidene-N-(2-methylpyrazol-3-yl)hepta-4,6-dien-2-imine
CID 144049875

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine (CID 143345771) is (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine is C=C(C)CC1=CCC(C(=C)NCC(=C)/C=C\C(C)=C(\C)CC)=Nc2ccnn21.
What is the InChIKey of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine?
The InChIKey is HMHGTOWEIUPFFJ-JMOFRJKPSA-N. The full InChI is InChI=1S/C24H32N4/c1-8-19(5)20(6)10-9-18(4)16-25-21(7)23-12-11-22(15-17(2)3)28-24(27-23)13-14-26-28/h9-11,13-14,25H,2,4,7-8,12,15-16H2,1,3,5-6H3/b10-9-,20-19-.
What are the key properties of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine?
(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine has a molecular weight of 376.55 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine is sourced from PubChem (CID 143345771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).