3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide

C14H23N3O2 — CID 88561477

IUPAC3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)NCCCCCCCC=O)n1
InChIInChI=1S/C14H23N3O2/c1-12-11-13(2)17(16-12)14(19)15-9-7-5-3-4-6-8-10-18/h10-11H,3-9H2,1-2H3,(H,15,19)
InChIKeyPCBCTAICTCXFGN-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.60
Rot. Bonds8

About 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide

3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide (PubChem CID 88561477) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide
PubChem CID88561477
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)NCCCCCCCC=O)n1
InChIInChI=1S/C14H23N3O2/c1-12-11-13(2)17(16-12)14(19)15-9-7-5-3-4-6-8-10-18/h10-11H,3-9H2,1-2H3,(H,15,19)
InChIKeyPCBCTAICTCXFGN-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-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 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide (CID 88561477) is 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide is Cc1cc(C)n(C(=O)NCCCCCCCC=O)n1.
What is the InChIKey of 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide?
The InChIKey is PCBCTAICTCXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-11-13(2)17(16-12)14(19)15-9-7-5-3-4-6-8-10-18/h10-11H,3-9H2,1-2H3,(H,15,19).
What are the key properties of 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide?
3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide is sourced from PubChem (CID 88561477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).