5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide

C11H12BrN3OS — CID 38617092

IUPAC5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-8(6-15-4-2-3-13-15)14-11(16)9-5-10(12)17-7-9/h2-5,7-8H,6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyAOXIPODHQCVFSG-QMMMGPOBSA-N
MW314.21 g/mol
LogP2.53
Rot. Bonds4

About 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide

5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide (PubChem CID 38617092) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
PubChem CID38617092
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-8(6-15-4-2-3-13-15)14-11(16)9-5-10(12)17-7-9/h2-5,7-8H,6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyAOXIPODHQCVFSG-QMMMGPOBSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45818972
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-3-carboxamide
CID 71808003
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 75371637
(4-Methylthiophen-3-yl)(1h-pyrazol-1-yl)methanone
CID 138811046
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
CID 60322788
N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 75463411
Pyrazol-1-yl(thiophen-3-yl)methanone
CID 179118812
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-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide (CID 38617092) is 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide is C[C@@H](Cn1cccn1)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
The InChIKey is AOXIPODHQCVFSG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-8(6-15-4-2-3-13-15)14-11(16)9-5-10(12)17-7-9/h2-5,7-8H,6H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 38617092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).