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

C8H7F6N3O — CID 142717358

IUPACN,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H7F6N3O/c1-15-6(18)4-3(7(9,10)11)5(8(12,13)14)16-17(4)2/h1-2H3,(H,15,18)
InChIKeyLNUOSBLOMSJTNA-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.82
Rot. Bonds1

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

N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 142717358) has the molecular formula C8H7F6N3O and a molecular weight of 275.15 g/mol. Its IUPAC name is N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID142717358
Molecular FormulaC8H7F6N3O
Molecular Weight275.15 g/mol
Exact Mass275.05
IUPAC NameN,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H7F6N3O/c1-15-6(18)4-3(7(9,10)11)5(8(12,13)14)16-17(4)2/h1-2H3,(H,15,18)
InChIKeyLNUOSBLOMSJTNA-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide (CID 142717358) is N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide is CNC(=O)c1c(C(F)(F)F)c(C(F)(F)F)nn1C.
What is the InChIKey of N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LNUOSBLOMSJTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O/c1-15-6(18)4-3(7(9,10)11)5(8(12,13)14)16-17(4)2/h1-2H3,(H,15,18).
What are the key properties of N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide?
N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 142717358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).