(3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide

C19H23N3O — CID 90385228

IUPAC(3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)CC(=O)N/C(C)=C/C=C(\C=C)c1cn[nH]c1
InChIInChI=1S/C19H23N3O/c1-5-8-16(9-6-2)12-19(23)22-15(4)10-11-17(7-3)18-13-20-21-14-18/h5-11,13-14H,1,3,12H2,2,4H3,(H,20,21)(H,22,23)/b9-6-,15-10+,16-8+,17-11+
InChIKeyUHFJCGFDVSZJBS-IFJRDTEBSA-N
MW309.41 g/mol
LogP4.08
Rot. Bonds8

About (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide

(3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide (PubChem CID 90385228) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide
PubChem CID90385228
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)CC(=O)N/C(C)=C/C=C(\C=C)c1cn[nH]c1
InChIInChI=1S/C19H23N3O/c1-5-8-16(9-6-2)12-19(23)22-15(4)10-11-17(7-3)18-13-20-21-14-18/h5-11,13-14H,1,3,12H2,2,4H3,(H,20,21)(H,22,23)/b9-6-,15-10+,16-8+,17-11+
InChIKeyUHFJCGFDVSZJBS-IFJRDTEBSA-N
XLogP4.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide?
The IUPAC name of (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide (CID 90385228) is (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide.
What is the SMILES notation for (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide?
The canonical SMILES for (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide is C=C/C=C(\C=C/C)CC(=O)N/C(C)=C/C=C(\C=C)c1cn[nH]c1.
What is the InChIKey of (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide?
The InChIKey is UHFJCGFDVSZJBS-IFJRDTEBSA-N. The full InChI is InChI=1S/C19H23N3O/c1-5-8-16(9-6-2)12-19(23)22-15(4)10-11-17(7-3)18-13-20-21-14-18/h5-11,13-14H,1,3,12H2,2,4H3,(H,20,21)(H,22,23)/b9-6-,15-10+,16-8+,17-11+.
What are the key properties of (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide?
(3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide has a molecular weight of 309.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide is sourced from PubChem (CID 90385228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).