(13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide

C34H61N3O — CID 171665971

IUPAC(13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide
SMILESCCCCCCCCCCCC/C=C\CC/C=C\CCCCCCCCCCCC(=O)Nc1ccnn1C
InChIInChI=1S/C34H61N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(38)36-33-31-32-35-37(33)2/h14-15,18-19,31-32H,3-13,16-17,20-30H2,1-2H3,(H,36,38)/b15-14-,19-18-
InChIKeyJFDZOHUCINMEPA-XUWLZAGCSA-N
MW527.88 g/mol
LogP10.85
Rot. Bonds27

About (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide

(13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide (PubChem CID 171665971) has the molecular formula C34H61N3O and a molecular weight of 527.88 g/mol. Its IUPAC name is (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide.

Molecular Properties

Compound Name(13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide
PubChem CID171665971
Molecular FormulaC34H61N3O
Molecular Weight527.88 g/mol
Exact Mass527.48
IUPAC Name(13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide
SMILESCCCCCCCCCCCC/C=C\CC/C=C\CCCCCCCCCCCC(=O)Nc1ccnn1C
InChIInChI=1S/C34H61N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(38)36-33-31-32-35-37(33)2/h14-15,18-19,31-32H,3-13,16-17,20-30H2,1-2H3,(H,36,38)/b15-14-,19-18-
InChIKeyJFDZOHUCINMEPA-XUWLZAGCSA-N
XLogP10.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.88
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide
CID 71979216
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide
CID 91648963
N-methyl-N'-(1-methylpyrazol-3-yl)hexadecanediamide
CID 176433369
2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide
CID 167813905
N-(1-methyl-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 2808900
N-{1-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25365653
N-{1-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 42595274
N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 45214742
N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-methylbutanamide
CID 45231713
N-(1-Methylpyrazol-3-YL)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 45852184
N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
CID 47020062

Frequently Asked Questions

What is the IUPAC name of (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide?
The IUPAC name of (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide (CID 171665971) is (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide.
What is the SMILES notation for (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide?
The canonical SMILES for (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide is CCCCCCCCCCCC/C=C\CC/C=C\CCCCCCCCCCCC(=O)Nc1ccnn1C.
What is the InChIKey of (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide?
The InChIKey is JFDZOHUCINMEPA-XUWLZAGCSA-N. The full InChI is InChI=1S/C34H61N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(38)36-33-31-32-35-37(33)2/h14-15,18-19,31-32H,3-13,16-17,20-30H2,1-2H3,(H,36,38)/b15-14-,19-18-.
What are the key properties of (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide?
(13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide has a molecular weight of 527.88 g/mol, XLogP of 10.85, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,17Z)-N-(2-methylpyrazol-3-yl)triaconta-13,17-dienamide is sourced from PubChem (CID 171665971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).