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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Related Compounds

5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24978919
5-chloro-N-cyclohexyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17559327
3,5-Diethyl-1-methyl-N-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 42669892
N,5-diethyl-1-methyl-3-(2-methylpropyl)pyrazole-4-carboxamide
CID 42669903
3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 46743729
N-isobutyl-1-isopropyl-5-methyl-3-(trifluoromethyl
CID 49670283
N-isopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675662
N-isopentyl-1-(1-isopropylpiperidin-4-yl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675764
1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
CID 75534032
1-Methyl-N-(2-methylpropyl)-3,5-dipropyl-1H-pyrazole-4-carboxamide
CID 83280051
5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide
CID 15376487
N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 15376493

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).