1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C7H8F3N3O — CID 59227341

IUPAC1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-3-4(6(11)14)5(7(8,9)10)12-13(3)2/h1-2H3,(H2,11,14)
InChIKeyPQCQDUHYYWHUSM-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.85
Rot. Bonds1

About 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 59227341) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID59227341
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-3-4(6(11)14)5(7(8,9)10)12-13(3)2/h1-2H3,(H2,11,14)
InChIKeyPQCQDUHYYWHUSM-UHFFFAOYSA-N
XLogP0.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trimethyl-1H-pyrazole-4-carbonyl chloride
CID 13637622
1,3,5-trimethyl-1H-pyrazole-4-carboxaldehyde
CID 736515
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 3157461
1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 136903
1,3,5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 1472343
3-(Difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carbonyl fluoride
CID 58526622
3,5-Dimethyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 6486756
2-oxo-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 7131333
1-Isopropyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 5230052
5-Fluoro-1,3-dimethyl-1H-pyrazole-4-carbonyl fluoride
CID 10855763
5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 11298106
2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 54593392

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 59227341) is 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1c(C(N)=O)c(C(F)(F)F)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PQCQDUHYYWHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-3-4(6(11)14)5(7(8,9)10)12-13(3)2/h1-2H3,(H2,11,14).
What are the key properties of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59227341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).