(5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine

C20H28FN3 — CID 90448506

IUPAC(5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine
SMILESC=C(/C=C\C(=C)C(CCNC)C(C)/C=C\C(F)=C/C)c1cn[nH]c1
InChIInChI=1S/C20H28FN3/c1-6-19(21)10-9-17(4)20(11-12-22-5)16(3)8-7-15(2)18-13-23-24-14-18/h6-10,13-14,17,20,22H,2-3,11-12H2,1,4-5H3,(H,23,24)/b8-7-,10-9-,19-6+
InChIKeyJVZMXBQCEYZBJH-NSLTVTHRSA-N
MW329.46 g/mol
LogP4.83
Rot. Bonds10

About (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine

(5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine (PubChem CID 90448506) has the molecular formula C20H28FN3 and a molecular weight of 329.46 g/mol. Its IUPAC name is (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine
PubChem CID90448506
Molecular FormulaC20H28FN3
Molecular Weight329.46 g/mol
Exact Mass329.23
IUPAC Name(5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine
SMILESC=C(/C=C\C(=C)C(CCNC)C(C)/C=C\C(F)=C/C)c1cn[nH]c1
InChIInChI=1S/C20H28FN3/c1-6-19(21)10-9-17(4)20(11-12-22-5)16(3)8-7-15(2)18-13-23-24-14-18/h6-10,13-14,17,20,22H,2-3,11-12H2,1,4-5H3,(H,23,24)/b8-7-,10-9-,19-6+
InChIKeyJVZMXBQCEYZBJH-NSLTVTHRSA-N
XLogP4.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine?
The IUPAC name of (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine (CID 90448506) is (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine.
What is the SMILES notation for (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine?
The canonical SMILES for (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine is C=C(/C=C\C(=C)C(CCNC)C(C)/C=C\C(F)=C/C)c1cn[nH]c1.
What is the InChIKey of (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine?
The InChIKey is JVZMXBQCEYZBJH-NSLTVTHRSA-N. The full InChI is InChI=1S/C20H28FN3/c1-6-19(21)10-9-17(4)20(11-12-22-5)16(3)8-7-15(2)18-13-23-24-14-18/h6-10,13-14,17,20,22H,2-3,11-12H2,1,4-5H3,(H,23,24)/b8-7-,10-9-,19-6+.
What are the key properties of (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine?
(5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine has a molecular weight of 329.46 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-7-fluoro-N,4-dimethyl-3-[(3Z)-5-(1H-pyrazol-4-yl)hexa-1,3,5-trien-2-yl]nona-5,7-dien-1-amine is sourced from PubChem (CID 90448506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).