3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C13H12F3N3O — CID 18768794

IUPAC3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O/c1-7-11(8(2)19-18-7)12(20)17-10-5-3-9(4-6-10)13(14,15)16/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyDQADJOTVQLRCCH-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.30
Rot. Bonds2

About 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 18768794) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID18768794
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O/c1-7-11(8(2)19-18-7)12(20)17-10-5-3-9(4-6-10)13(14,15)16/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyDQADJOTVQLRCCH-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 18768794) is 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DQADJOTVQLRCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-11(8(2)19-18-7)12(20)17-10-5-3-9(4-6-10)13(14,15)16/h3-6H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 18768794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).