N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C18H30FN3O — CID 54030801

IUPACN-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(CC)CC1CCCCC1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C18H30FN3O/c1-5-13(6-2)11-14-9-7-8-10-15(14)20-18(23)16-12(3)21-22(4)17(16)19/h13-15H,5-11H2,1-4H3,(H,20,23)
InChIKeyLFLMFOJVBBZIAX-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 54030801) has the molecular formula C18H30FN3O and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID54030801
Molecular FormulaC18H30FN3O
Molecular Weight323.46 g/mol
Exact Mass323.24
IUPAC NameN-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(CC)CC1CCCCC1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C18H30FN3O/c1-5-13(6-2)11-14-9-7-8-10-15(14)20-18(23)16-12(3)21-22(4)17(16)19/h13-15H,5-11H2,1-4H3,(H,20,23)
InChIKeyLFLMFOJVBBZIAX-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 54030801) is N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is CCC(CC)CC1CCCCC1NC(=O)c1c(C)nn(C)c1F.
What is the InChIKey of N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is LFLMFOJVBBZIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O/c1-5-13(6-2)11-14-9-7-8-10-15(14)20-18(23)16-12(3)21-22(4)17(16)19/h13-15H,5-11H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 54030801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).