N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide

C14H19F4N3O — CID 175864516

IUPACN-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)c(C)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H19F4N3O/c1-8-12(9(2)21(20-8)7-11(15)16)13(22)19-10-3-5-14(17,18)6-4-10/h10-11H,3-7H2,1-2H3,(H,19,22)
InChIKeyRKFYGUYVEKMCSL-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.07
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide

N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 175864516) has the molecular formula C14H19F4N3O and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID175864516
Molecular FormulaC14H19F4N3O
Molecular Weight321.32 g/mol
Exact Mass321.15
IUPAC NameN-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)c(C)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H19F4N3O/c1-8-12(9(2)21(20-8)7-11(15)16)13(22)19-10-3-5-14(17,18)6-4-10/h10-11H,3-7H2,1-2H3,(H,19,22)
InChIKeyRKFYGUYVEKMCSL-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide (CID 175864516) is N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(CC(F)F)c(C)c1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is RKFYGUYVEKMCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N3O/c1-8-12(9(2)21(20-8)7-11(15)16)13(22)19-10-3-5-14(17,18)6-4-10/h10-11H,3-7H2,1-2H3,(H,19,22).
What are the key properties of N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide?
N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175864516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).