2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide

C16H17F3N4O2 — CID 87025355

IUPAC2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)n(C)n1
InChIInChI=1S/C16H17F3N4O2/c1-9-4-5-11(14(24)20-8-16(17,18)19)7-12(9)21-15(25)13-6-10(2)22-23(13)3/h4-7H,8H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyRSOSEWWDCNXEGB-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.58
Rot. Bonds4

About 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 87025355) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID87025355
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)n(C)n1
InChIInChI=1S/C16H17F3N4O2/c1-9-4-5-11(14(24)20-8-16(17,18)19)7-12(9)21-15(25)13-6-10(2)22-23(13)3/h4-7H,8H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyRSOSEWWDCNXEGB-UHFFFAOYSA-N
XLogP2.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 87025355) is 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is RSOSEWWDCNXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9-4-5-11(14(24)20-8-16(17,18)19)7-12(9)21-15(25)13-6-10(2)22-23(13)3/h4-7H,8H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 87025355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).