3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C15H16F3N3O3 — CID 121083972

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCC(F)(F)F)n(C)n2)c1
InChIInChI=1S/C15H16F3N3O3/c1-21-12(14(22)19-8-15(16,17)18)7-11(20-21)10-6-9(23-2)4-5-13(10)24-3/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyZLTSHJGTCLBUMX-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.40
Rot. Bonds5

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 121083972) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID121083972
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCC(F)(F)F)n(C)n2)c1
InChIInChI=1S/C15H16F3N3O3/c1-21-12(14(22)19-8-15(16,17)18)7-11(20-21)10-6-9(23-2)4-5-13(10)24-3/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyZLTSHJGTCLBUMX-UHFFFAOYSA-N
XLogP2.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121137872
3-(2,5-dimethoxyphenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 121122834
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]pyrazole-5-carboxamide
CID 90579434
3-(2,5-dimethoxyphenyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121120921
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
CID 121165342
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
3-(2,5-dimethoxyphenyl)-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-1-methylpyrazole-5-carboxamide
CID 99981286
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
CID 71809940
3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122288870

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 121083972) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCC(F)(F)F)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is ZLTSHJGTCLBUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-21-12(14(22)19-8-15(16,17)18)7-11(20-21)10-6-9(23-2)4-5-13(10)24-3/h4-7H,8H2,1-3H3,(H,19,22).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 121083972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).