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

C16H26FN3O — CID 54105892

IUPACN-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC1CCCC(CC)C1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C16H26FN3O/c1-5-11-8-7-9-12(6-2)14(11)18-16(21)13-10(3)19-20(4)15(13)17/h11-12,14H,5-9H2,1-4H3,(H,18,21)
InChIKeyNDSSNLVLMOMOEA-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.20
Rot. Bonds4

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

N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 54105892) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID54105892
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC1CCCC(CC)C1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C16H26FN3O/c1-5-11-8-7-9-12(6-2)14(11)18-16(21)13-10(3)19-20(4)15(13)17/h11-12,14H,5-9H2,1-4H3,(H,18,21)
InChIKeyNDSSNLVLMOMOEA-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 54105892) is N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is CCC1CCCC(CC)C1NC(=O)c1c(C)nn(C)c1F.
What is the InChIKey of N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is NDSSNLVLMOMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-5-11-8-7-9-12(6-2)14(11)18-16(21)13-10(3)19-20(4)15(13)17/h11-12,14H,5-9H2,1-4H3,(H,18,21).
What are the key properties of N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 54105892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).