N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide

C10H9BrN4O2S — CID 47213341

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C10H9BrN4O2S/c11-8-1-6(5-18-8)10(17)14-7-2-13-15(3-7)4-9(12)16/h1-3,5H,4H2,(H2,12,16)(H,14,17)
InChIKeyWBYKNWOMSQQIAL-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.44
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide (PubChem CID 47213341) has the molecular formula C10H9BrN4O2S and a molecular weight of 329.18 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide
PubChem CID47213341
Molecular FormulaC10H9BrN4O2S
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2csc(Br)c2)cn1
InChIInChI=1S/C10H9BrN4O2S/c11-8-1-6(5-18-8)10(17)14-7-2-13-15(3-7)4-9(12)16/h1-3,5H,4H2,(H2,12,16)(H,14,17)
InChIKeyWBYKNWOMSQQIAL-UHFFFAOYSA-N
XLogP1.44
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(1,2-oxazinan-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-3-thiophenecarboxamide
CID 26278203
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}-3-thenamide
CID 97428110
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
CID 60322788
5-bromo-N-(1-methyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 32609166
N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 32609210
5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide
CID 35280212
5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide
CID 37392303
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 37908571
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
CID 38610685
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
CID 38610687
5-bromo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
CID 38617092

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide (CID 47213341) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide is NC(=O)Cn1cc(NC(=O)c2csc(Br)c2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide?
The InChIKey is WBYKNWOMSQQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2S/c11-8-1-6(5-18-8)10(17)14-7-2-13-15(3-7)4-9(12)16/h1-3,5H,4H2,(H2,12,16)(H,14,17).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 47213341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).