N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide

C7H8F3N3O — CID 154342071

IUPACN,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C7H8F3N3O/c1-12(2)6(14)13-4-5(3-11-13)7(8,9)10/h3-4H,1-2H3
InChIKeyYMBXMWBIUBVOPV-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.43
Rot. Bonds

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

N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 154342071) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID154342071
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C7H8F3N3O/c1-12(2)6(14)13-4-5(3-11-13)7(8,9)10/h3-4H,1-2H3
InChIKeyYMBXMWBIUBVOPV-UHFFFAOYSA-N
XLogP1.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide (CID 154342071) is N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide is CN(C)C(=O)n1cc(C(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is YMBXMWBIUBVOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-12(2)6(14)13-4-5(3-11-13)7(8,9)10/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 154342071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).