N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide

C19H29FN6O2 — CID 143263764

IUPACN-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide
SMILESCC/C(F)=C\C=C(/C)NC(=O)c1[nH]ncc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C19H29FN6O2/c1-4-15(20)6-5-14(2)22-19(28)18-16(13-21-24-18)23-17(27)7-8-26-11-9-25(3)10-12-26/h5-6,13H,4,7-12H2,1-3H3,(H,21,24)(H,22,28)(H,23,27)/b14-5+,15-6+
InChIKeyUIRBWJRGWUYHJX-PWSZKDBUSA-N
MW392.48 g/mol
LogP1.88
Rot. Bonds8

About N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide

N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide (PubChem CID 143263764) has the molecular formula C19H29FN6O2 and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide
PubChem CID143263764
Molecular FormulaC19H29FN6O2
Molecular Weight392.48 g/mol
Exact Mass392.23
IUPAC NameN-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide
SMILESCC/C(F)=C\C=C(/C)NC(=O)c1[nH]ncc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C19H29FN6O2/c1-4-15(20)6-5-14(2)22-19(28)18-16(13-21-24-18)23-17(27)7-8-26-11-9-25(3)10-12-26/h5-6,13H,4,7-12H2,1-3H3,(H,21,24)(H,22,28)(H,23,27)/b14-5+,15-6+
InChIKeyUIRBWJRGWUYHJX-PWSZKDBUSA-N
XLogP1.88
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide 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 N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide (CID 143263764) is N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide is CC/C(F)=C\C=C(/C)NC(=O)c1[nH]ncc1NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UIRBWJRGWUYHJX-PWSZKDBUSA-N. The full InChI is InChI=1S/C19H29FN6O2/c1-4-15(20)6-5-14(2)22-19(28)18-16(13-21-24-18)23-17(27)7-8-26-11-9-25(3)10-12-26/h5-6,13H,4,7-12H2,1-3H3,(H,21,24)(H,22,28)(H,23,27)/b14-5+,15-6+.
What are the key properties of N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide?
N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).