1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H11F6N5O2 — CID 19582347

IUPAC1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H11F6N5O2/c1-22-8(2-9(21-22)12(16,17)18)10(24)20-7-3-19-23(4-7)6-25-5-11(13,14)15/h2-4H,5-6H2,1H3,(H,20,24)
InChIKeyVFUMOWYZJRJVFI-UHFFFAOYSA-N
MW371.24 g/mol
LogP2.42
Rot. Bonds5

About 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19582347) has the molecular formula C12H11F6N5O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19582347
Molecular FormulaC12H11F6N5O2
Molecular Weight371.24 g/mol
Exact Mass371.08
IUPAC Name1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H11F6N5O2/c1-22-8(2-9(21-22)12(16,17)18)10(24)20-7-3-19-23(4-7)6-25-5-11(13,14)15/h2-4H,5-6H2,1H3,(H,20,24)
InChIKeyVFUMOWYZJRJVFI-UHFFFAOYSA-N
XLogP2.42
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19582347) is 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VFUMOWYZJRJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N5O2/c1-22-8(2-9(21-22)12(16,17)18)10(24)20-7-3-19-23(4-7)6-25-5-11(13,14)15/h2-4H,5-6H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19582347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).