3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide

C11H7BrN4OS — CID 167822765

IUPAC3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(Br)[nH]nc2s1
InChIInChI=1S/C11H7BrN4OS/c12-9-7-4-8(18-11(7)16-15-9)10(17)14-6-2-1-3-13-5-6/h1-5H,(H,14,17)(H,15,16)
InChIKeyPHJVWOOBSWMIDX-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.03
Rot. Bonds2

About 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 167822765) has the molecular formula C11H7BrN4OS and a molecular weight of 323.18 g/mol. Its IUPAC name is 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID167822765
Molecular FormulaC11H7BrN4OS
Molecular Weight323.18 g/mol
Exact Mass321.95
IUPAC Name3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(Br)[nH]nc2s1
InChIInChI=1S/C11H7BrN4OS/c12-9-7-4-8(18-11(7)16-15-9)10(17)14-6-2-1-3-13-5-6/h1-5H,(H,14,17)(H,15,16)
InChIKeyPHJVWOOBSWMIDX-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
N-pyridin-3-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 1247581
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
CID 47080055
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398184
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 167822765) is 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide is O=C(Nc1cccnc1)c1cc2c(Br)[nH]nc2s1.
What is the InChIKey of 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is PHJVWOOBSWMIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4OS/c12-9-7-4-8(18-11(7)16-15-9)10(17)14-6-2-1-3-13-5-6/h1-5H,(H,14,17)(H,15,16).
What are the key properties of 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 167822765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).