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

C10H9Br2N3OS — CID 4773000

IUPAC4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1c(NC(=O)c2cc(Br)c(Br)s2)cnn1C
InChIInChI=1S/C10H9Br2N3OS/c1-5-7(4-13-15(5)2)14-10(16)8-3-6(11)9(12)17-8/h3-4H,1-2H3,(H,14,16)
InChIKeyQKDKSOZXIPTTQC-UHFFFAOYSA-N
MW379.08 g/mol
LogP3.57
Rot. Bonds2

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

4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 4773000) has the molecular formula C10H9Br2N3OS and a molecular weight of 379.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID4773000
Molecular FormulaC10H9Br2N3OS
Molecular Weight379.08 g/mol
Exact Mass376.88
IUPAC Name4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1c(NC(=O)c2cc(Br)c(Br)s2)cnn1C
InChIInChI=1S/C10H9Br2N3OS/c1-5-7(4-13-15(5)2)14-10(16)8-3-6(11)9(12)17-8/h3-4H,1-2H3,(H,14,16)
InChIKeyQKDKSOZXIPTTQC-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 3398298
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336835
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573
methyl 4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341532
N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 166217040
4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 42971041
4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 114050470
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide
CID 80537120

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide (CID 4773000) is 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide is Cc1c(NC(=O)c2cc(Br)c(Br)s2)cnn1C.
What is the InChIKey of 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is QKDKSOZXIPTTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3OS/c1-5-7(4-13-15(5)2)14-10(16)8-3-6(11)9(12)17-8/h3-4H,1-2H3,(H,14,16).
What are the key properties of 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 379.08 g/mol, XLogP of 3.57, 2 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)thiophene-2-carboxamide is sourced from PubChem (CID 4773000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).