4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C11H11Br2N3OS — CID 3398298

IUPAC4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1c(CNC(=O)c2cc(Br)c(Br)s2)cnn1C
InChIInChI=1S/C11H11Br2N3OS/c1-6-7(5-15-16(6)2)4-14-11(17)9-3-8(12)10(13)18-9/h3,5H,4H2,1-2H3,(H,14,17)
InChIKeyYJSFBINIQGZXDM-UHFFFAOYSA-N
MW393.10 g/mol
LogP3.25
Rot. Bonds3

About 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 3398298) has the molecular formula C11H11Br2N3OS and a molecular weight of 393.10 g/mol. Its IUPAC name is 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID3398298
Molecular FormulaC11H11Br2N3OS
Molecular Weight393.10 g/mol
Exact Mass390.90
IUPAC Name4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1c(CNC(=O)c2cc(Br)c(Br)s2)cnn1C
InChIInChI=1S/C11H11Br2N3OS/c1-6-7(5-15-16(6)2)4-14-11(17)9-3-8(12)10(13)18-9/h3,5H,4H2,1-2H3,(H,14,17)
InChIKeyYJSFBINIQGZXDM-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.10
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 4773000
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80537776
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103861005
4,5-dibromo-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113237995
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103861052
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 106049939
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 51291417
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 3398298) is 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1c(CNC(=O)c2cc(Br)c(Br)s2)cnn1C.
What is the InChIKey of 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YJSFBINIQGZXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3OS/c1-6-7(5-15-16(6)2)4-14-11(17)9-3-8(12)10(13)18-9/h3,5H,4H2,1-2H3,(H,14,17).
What are the key properties of 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 393.10 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 3398298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).