5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide

C18H30FN3O — CID 54220561

IUPAC5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide
SMILESCCC1CC(CC)C(NC(=O)c2c(C)nn(C)c2F)C(CC)C1
InChIInChI=1S/C18H30FN3O/c1-6-12-9-13(7-2)16(14(8-3)10-12)20-18(23)15-11(4)21-22(5)17(15)19/h12-14,16H,6-10H2,1-5H3,(H,20,23)
InChIKeyQCHDETSRYPFKCR-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.84
Rot. Bonds5

About 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide

5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide (PubChem CID 54220561) has the molecular formula C18H30FN3O and a molecular weight of 323.46 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide
PubChem CID54220561
Molecular FormulaC18H30FN3O
Molecular Weight323.46 g/mol
Exact Mass323.24
IUPAC Name5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide
SMILESCCC1CC(CC)C(NC(=O)c2c(C)nn(C)c2F)C(CC)C1
InChIInChI=1S/C18H30FN3O/c1-6-12-9-13(7-2)16(14(8-3)10-12)20-18(23)15-11(4)21-22(5)17(15)19/h12-14,16H,6-10H2,1-5H3,(H,20,23)
InChIKeyQCHDETSRYPFKCR-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide (CID 54220561) is 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide is CCC1CC(CC)C(NC(=O)c2c(C)nn(C)c2F)C(CC)C1.
What is the InChIKey of 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide?
The InChIKey is QCHDETSRYPFKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O/c1-6-12-9-13(7-2)16(14(8-3)10-12)20-18(23)15-11(4)21-22(5)17(15)19/h12-14,16H,6-10H2,1-5H3,(H,20,23).
What are the key properties of 5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide?
5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.84, 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-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 54220561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).