1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C17H20F3N3O2 — CID 162597470

IUPAC1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2C)cccc1OC(C)C
InChIInChI=1S/C17H20F3N3O2/c1-9(2)25-13-8-6-7-12(10(13)3)21-16(24)14-11(4)23(5)22-15(14)17(18,19)20/h6-9H,1-5H3,(H,21,24)
InChIKeyWRNGGGOURXXLFV-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.10
Rot. Bonds4

About 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 162597470) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID162597470
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2C)cccc1OC(C)C
InChIInChI=1S/C17H20F3N3O2/c1-9(2)25-13-8-6-7-12(10(13)3)21-16(24)14-11(4)23(5)22-15(14)17(18,19)20/h6-9H,1-5H3,(H,21,24)
InChIKeyWRNGGGOURXXLFV-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174724212
N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150424894
5-chloro-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87474784
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 86629852
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
N-[2-(3,3-dimethylbutyl)phenyl]-5-fluoro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 58792449
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542848
N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 57230580
3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide
CID 162689526
5-fluoro-1,3-dimethyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 87475107
N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylphenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 59684915

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 162597470) is 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2C)cccc1OC(C)C.
What is the InChIKey of 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WRNGGGOURXXLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-9(2)25-13-8-6-7-12(10(13)3)21-16(24)14-11(4)23(5)22-15(14)17(18,19)20/h6-9H,1-5H3,(H,21,24).
What are the key properties of 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162597470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).