N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide

C26H34N4O — CID 143441741

IUPACN-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide
SMILESC=C(/C=C(/NCCCCNC(=O)C1=CCCC1)n1ncc(C)c1C)c1ccccc1C
InChIInChI=1S/C26H34N4O/c1-19-11-5-8-14-24(19)20(2)17-25(30-22(4)21(3)18-29-30)27-15-9-10-16-28-26(31)23-12-6-7-13-23/h5,8,11-12,14,17-18,27H,2,6-7,9-10,13,15-16H2,1,3-4H3,(H,28,31)/b25-17-
InChIKeyXUPZYNXSCZXIMI-UQQQWYQISA-N
MW418.59 g/mol
LogP4.92
Rot. Bonds10

About N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide

N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide (PubChem CID 143441741) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide
PubChem CID143441741
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC NameN-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide
SMILESC=C(/C=C(/NCCCCNC(=O)C1=CCCC1)n1ncc(C)c1C)c1ccccc1C
InChIInChI=1S/C26H34N4O/c1-19-11-5-8-14-24(19)20(2)17-25(30-22(4)21(3)18-29-30)27-15-9-10-16-28-26(31)23-12-6-7-13-23/h5,8,11-12,14,17-18,27H,2,6-7,9-10,13,15-16H2,1,3-4H3,(H,28,31)/b25-17-
InChIKeyXUPZYNXSCZXIMI-UQQQWYQISA-N
XLogP4.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide (CID 143441741) is N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide is C=C(/C=C(/NCCCCNC(=O)C1=CCCC1)n1ncc(C)c1C)c1ccccc1C.
What is the InChIKey of N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide?
The InChIKey is XUPZYNXSCZXIMI-UQQQWYQISA-N. The full InChI is InChI=1S/C26H34N4O/c1-19-11-5-8-14-24(19)20(2)17-25(30-22(4)21(3)18-29-30)27-15-9-10-16-28-26(31)23-12-6-7-13-23/h5,8,11-12,14,17-18,27H,2,6-7,9-10,13,15-16H2,1,3-4H3,(H,28,31)/b25-17-.
What are the key properties of N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide?
N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide has a molecular weight of 418.59 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 143441741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).