4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H10BrF3N6O2 — CID 4768107

IUPAC4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)c1C(N)=O
InChIInChI=1S/C11H10BrF3N6O2/c1-20-7(9(16)22)4(3-17-20)18-10(23)6-5(12)8(11(13,14)15)21(2)19-6/h3H,1-2H3,(H2,16,22)(H,18,23)
InChIKeyYPDMLTSWNHVHDY-UHFFFAOYSA-N
MW395.14 g/mol
LogP1.29
Rot. Bonds3

About 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4768107) has the molecular formula C11H10BrF3N6O2 and a molecular weight of 395.14 g/mol. Its IUPAC name is 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4768107
Molecular FormulaC11H10BrF3N6O2
Molecular Weight395.14 g/mol
Exact Mass394.00
IUPAC Name4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)c1C(N)=O
InChIInChI=1S/C11H10BrF3N6O2/c1-20-7(9(16)22)4(3-17-20)18-10(23)6-5(12)8(11(13,14)15)21(2)19-6/h3H,1-2H3,(H2,16,22)(H,18,23)
InChIKeyYPDMLTSWNHVHDY-UHFFFAOYSA-N
XLogP1.29
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4768107) is 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1ncc(NC(=O)c2nn(C)c(C(F)(F)F)c2Br)c1C(N)=O.
What is the InChIKey of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is YPDMLTSWNHVHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N6O2/c1-20-7(9(16)22)4(3-17-20)18-10(23)6-5(12)8(11(13,14)15)21(2)19-6/h3H,1-2H3,(H2,16,22)(H,18,23).
What are the key properties of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 395.14 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4768107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).