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

C8H10F3N3O2 — CID 121456507

IUPACN-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C8H10F3N3O2/c1-13-6(8(9,10)11)4-5(12-13)7(15)14(2)16-3/h4H,1-3H3
InChIKeyAKTUUYWFURCYTM-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.07
Rot. Bonds2

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

N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 121456507) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID121456507
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C8H10F3N3O2/c1-13-6(8(9,10)11)4-5(12-13)7(15)14(2)16-3/h4H,1-3H3
InChIKeyAKTUUYWFURCYTM-UHFFFAOYSA-N
XLogP1.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 121456507) is N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CON(C)C(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is AKTUUYWFURCYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-13-6(8(9,10)11)4-5(12-13)7(15)14(2)16-3/h4H,1-3H3.
What are the key properties of N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 121456507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).