4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide

C11H11BrN4O2S — CID 17024416

IUPAC4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cc(Br)cs1
InChIInChI=1S/C11H11BrN4O2S/c1-13-11(18)9-7(4-16(2)15-9)14-10(17)8-3-6(12)5-19-8/h3-5H,1-2H3,(H,13,18)(H,14,17)
InChIKeyHZGCDFMOXFRIQD-UHFFFAOYSA-N
MW343.21 g/mol
LogP1.86
Rot. Bonds3

About 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide

4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 17024416) has the molecular formula C11H11BrN4O2S and a molecular weight of 343.21 g/mol. Its IUPAC name is 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID17024416
Molecular FormulaC11H11BrN4O2S
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC Name4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cc(Br)cs1
InChIInChI=1S/C11H11BrN4O2S/c1-13-11(18)9-7(4-16(2)15-9)14-10(17)8-3-6(12)5-19-8/h3-5H,1-2H3,(H,13,18)(H,14,17)
InChIKeyHZGCDFMOXFRIQD-UHFFFAOYSA-N
XLogP1.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide (CID 17024416) is 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1cc(Br)cs1.
What is the InChIKey of 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is HZGCDFMOXFRIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S/c1-13-11(18)9-7(4-16(2)15-9)14-10(17)8-3-6(12)5-19-8/h3-5H,1-2H3,(H,13,18)(H,14,17).
What are the key properties of 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 343.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 17024416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).