N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide

C22H29N3O — CID 56649972

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide
SMILESCC(C)=CCC/C(C)=C/CN(C)C(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C22H29N3O/c1-17(2)10-9-11-18(3)14-15-24(5)22(26)21-16-19(4)23-25(21)20-12-7-6-8-13-20/h6-8,10,12-14,16H,9,11,15H2,1-5H3/b18-14+
InChIKeyFDFIOJHOSFLMEZ-NBVRZTHBSA-N
MW351.49 g/mol
LogP4.95
Rot. Bonds7

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide (PubChem CID 56649972) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide
PubChem CID56649972
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide
SMILESCC(C)=CCC/C(C)=C/CN(C)C(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C22H29N3O/c1-17(2)10-9-11-18(3)14-15-24(5)22(26)21-16-19(4)23-25(21)20-12-7-6-8-13-20/h6-8,10,12-14,16H,9,11,15H2,1-5H3/b18-14+
InChIKeyFDFIOJHOSFLMEZ-NBVRZTHBSA-N
XLogP4.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide
CID 14834824
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
[(2E)-3,7-dimethylocta-2,6-dienoyl] 1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxylate
CID 141232102
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862170

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide (CID 56649972) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide is CC(C)=CCC/C(C)=C/CN(C)C(=O)c1cc(C)nn1-c1ccccc1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is FDFIOJHOSFLMEZ-NBVRZTHBSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)10-9-11-18(3)14-15-24(5)22(26)21-16-19(4)23-25(21)20-12-7-6-8-13-20/h6-8,10,12-14,16H,9,11,15H2,1-5H3/b18-14+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,5-dimethyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 56649972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).