3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide

C16H21F2N3OS — CID 59739533

IUPAC3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C16H21F2N3OS/c1-9(2)7-10(3)14-12(5-6-23-14)19-16(22)11-8-21(4)20-13(11)15(17)18/h5-6,8-10,15H,7H2,1-4H3,(H,19,22)
InChIKeyJCYNGFDVYKLMRZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.82
Rot. Bonds6

About 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide (PubChem CID 59739533) has the molecular formula C16H21F2N3OS and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide
PubChem CID59739533
Molecular FormulaC16H21F2N3OS
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C16H21F2N3OS/c1-9(2)7-10(3)14-12(5-6-23-14)19-16(22)11-8-21(4)20-13(11)15(17)18/h5-6,8-10,15H,7H2,1-4H3,(H,19,22)
InChIKeyJCYNGFDVYKLMRZ-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Penthiopyrad
CID 11388558
N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide
CID 139596681
Penthiopyrad metabolite M11
CID 139595989
Penthiopyrad metabolite M12
CID 139597729
1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9207408
4-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-2-carboxamide
CID 71808006
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-2-(trifluoromethyl)benzamide
CID 71808138
1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84594963
N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336059
N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4856328
N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 18925403
N-(2-isopropyl-3-thienyl)-3-trifluoromethyl-1-methylpyrazole-4-carboxamide
CID 18925421

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide (CID 59739533) is 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide is CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
The InChIKey is JCYNGFDVYKLMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3OS/c1-9(2)7-10(3)14-12(5-6-23-14)19-16(22)11-8-21(4)20-13(11)15(17)18/h5-6,8-10,15H,7H2,1-4H3,(H,19,22).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 59739533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).