5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine

C14H22FN3 — CID 134424280

IUPAC5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
SMILESC=C(/C=C\C(F)=C/C)N1C(CC)=C(NC)CN1C
InChIInChI=1S/C14H22FN3/c1-6-12(15)9-8-11(3)18-14(7-2)13(16-4)10-17(18)5/h6,8-9,16H,3,7,10H2,1-2,4-5H3/b9-8-,12-6+
InChIKeyKNRQODKRQRTZGA-HQBPLYTQSA-N
MW251.35 g/mol
LogP2.93
Rot. Bonds5

About 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine

5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine (PubChem CID 134424280) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
PubChem CID134424280
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
SMILESC=C(/C=C\C(F)=C/C)N1C(CC)=C(NC)CN1C
InChIInChI=1S/C14H22FN3/c1-6-12(15)9-8-11(3)18-14(7-2)13(16-4)10-17(18)5/h6,8-9,16H,3,7,10H2,1-2,4-5H3/b9-8-,12-6+
InChIKeyKNRQODKRQRTZGA-HQBPLYTQSA-N
XLogP2.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-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 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine?
The IUPAC name of 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine (CID 134424280) is 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine is C=C(/C=C\C(F)=C/C)N1C(CC)=C(NC)CN1C.
What is the InChIKey of 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine?
The InChIKey is KNRQODKRQRTZGA-HQBPLYTQSA-N. The full InChI is InChI=1S/C14H22FN3/c1-6-12(15)9-8-11(3)18-14(7-2)13(16-4)10-17(18)5/h6,8-9,16H,3,7,10H2,1-2,4-5H3/b9-8-,12-6+.
What are the key properties of 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine?
5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine has a molecular weight of 251.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine is sourced from PubChem (CID 134424280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).