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

C18H28FN3O — CID 89455793

IUPACN-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C18H28FN3O/c1-12-16(17(19)22(2)21-12)18(23)20-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h13-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyKUZACBQCHCMSLZ-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.74
Rot. Bonds3

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

N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 89455793) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID89455793
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC NameN-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C18H28FN3O/c1-12-16(17(19)22(2)21-12)18(23)20-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h13-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyKUZACBQCHCMSLZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 89455793) is N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)NC1CCCCC1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is KUZACBQCHCMSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-12-16(17(19)22(2)21-12)18(23)20-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h13-15H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 89455793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).