N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C17H28FN3O — CID 54180318

IUPACN-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC1CC(C)CC(CC)C1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C17H28FN3O/c1-6-12-8-10(3)9-13(7-2)15(12)19-17(22)14-11(4)20-21(5)16(14)18/h10,12-13,15H,6-9H2,1-5H3,(H,19,22)
InChIKeyPBIBZTJHKFZYQC-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.45
Rot. Bonds4

About N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 54180318) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID54180318
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC NameN-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC1CC(C)CC(CC)C1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C17H28FN3O/c1-6-12-8-10(3)9-13(7-2)15(12)19-17(22)14-11(4)20-21(5)16(14)18/h10,12-13,15H,6-9H2,1-5H3,(H,19,22)
InChIKeyPBIBZTJHKFZYQC-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 54180318) is N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is CCC1CC(C)CC(CC)C1NC(=O)c1c(C)nn(C)c1F.
What is the InChIKey of N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PBIBZTJHKFZYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-6-12-8-10(3)9-13(7-2)15(12)19-17(22)14-11(4)20-21(5)16(14)18/h10,12-13,15H,6-9H2,1-5H3,(H,19,22).
What are the key properties of N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 54180318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).