5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide

C11H12BrN3OS — CID 37392303

IUPAC5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c12-10-7-9(8-17-10)11(16)13-3-1-5-15-6-2-4-14-15/h2,4,6-8H,1,3,5H2,(H,13,16)
InChIKeyALXJHNDPMOKMBP-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.53
Rot. Bonds5

About 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide

5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide (PubChem CID 37392303) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide
PubChem CID37392303
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c12-10-7-9(8-17-10)11(16)13-3-1-5-15-6-2-4-14-15/h2,4,6-8H,1,3,5H2,(H,13,16)
InChIKeyALXJHNDPMOKMBP-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 75371637
N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-3-carboxamide
CID 71808003
(4-Methylthiophen-3-yl)(1h-pyrazol-1-yl)methanone
CID 138811046
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
CID 60322788
5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 45818503
N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 75463411
2-amino-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 164550009
4,5-dibromo-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
CID 19332305
5-bromo-N-(1-methyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 25676165
N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 31847167
5-bromo-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 32312884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide (CID 37392303) is 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide is O=C(NCCCn1cccn1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide?
The InChIKey is ALXJHNDPMOKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c12-10-7-9(8-17-10)11(16)13-3-1-5-15-6-2-4-14-15/h2,4,6-8H,1,3,5H2,(H,13,16).
What are the key properties of 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide?
5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 37392303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).