5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide

C18H26FN3O — CID 142208030

IUPAC5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
SMILESCCCC(C)C1=C(NC(=O)c2c(C)nn(C)c2F)C(C)CC=C1
InChIInChI=1S/C18H26FN3O/c1-6-8-11(2)14-10-7-9-12(3)16(14)20-18(23)15-13(4)21-22(5)17(15)19/h7,10-12H,6,8-9H2,1-5H3,(H,20,23)
InChIKeyHGSFXOWASOOJFE-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.88
Rot. Bonds5

About 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide

5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide (PubChem CID 142208030) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
PubChem CID142208030
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
SMILESCCCC(C)C1=C(NC(=O)c2c(C)nn(C)c2F)C(C)CC=C1
InChIInChI=1S/C18H26FN3O/c1-6-8-11(2)14-10-7-9-12(3)16(14)20-18(23)15-13(4)21-22(5)17(15)19/h7,10-12H,6,8-9H2,1-5H3,(H,20,23)
InChIKeyHGSFXOWASOOJFE-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-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 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide (CID 142208030) is 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide is CCCC(C)C1=C(NC(=O)c2c(C)nn(C)c2F)C(C)CC=C1.
What is the InChIKey of 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
The InChIKey is HGSFXOWASOOJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-6-8-11(2)14-10-7-9-12(3)16(14)20-18(23)15-13(4)21-22(5)17(15)19/h7,10-12H,6,8-9H2,1-5H3,(H,20,23).
What are the key properties of 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-N-(6-methyl-2-pentan-2-ylcyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 142208030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).