N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide

C9H10BrN3OS — CID 175587051

IUPACN-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(Br)sc12
InChIInChI=1S/C9H10BrN3OS/c1-4(2)9(14)11-8-7-5(12-13-8)3-6(10)15-7/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeyCJPMOTADJRMFTN-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.98
Rot. Bonds2

About N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide

N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide (PubChem CID 175587051) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide
PubChem CID175587051
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC NameN-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(Br)sc12
InChIInChI=1S/C9H10BrN3OS/c1-4(2)9(14)11-8-7-5(12-13-8)3-6(10)15-7/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeyCJPMOTADJRMFTN-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide (CID 175587051) is N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide is CC(C)C(=O)Nc1n[nH]c2cc(Br)sc12.
What is the InChIKey of N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide?
The InChIKey is CJPMOTADJRMFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-4(2)9(14)11-8-7-5(12-13-8)3-6(10)15-7/h3-4H,1-2H3,(H2,11,12,13,14).
What are the key properties of N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide?
N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide has a molecular weight of 288.17 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 175587051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).