4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide

C15H16Br2N4O3S — CID 19338922

IUPAC4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(Br)c(Br)s2)c1C(=O)N1CCOCC1
InChIInChI=1S/C15H16Br2N4O3S/c1-2-21-12(15(23)20-3-5-24-6-4-20)10(8-18-21)19-14(22)11-7-9(16)13(17)25-11/h7-8H,2-6H2,1H3,(H,19,22)
InChIKeyAIZJQMRAXZLVCO-UHFFFAOYSA-N
MW492.19 g/mol
LogP3.21
Rot. Bonds4

About 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide

4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19338922) has the molecular formula C15H16Br2N4O3S and a molecular weight of 492.19 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID19338922
Molecular FormulaC15H16Br2N4O3S
Molecular Weight492.19 g/mol
Exact Mass489.93
IUPAC Name4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(Br)c(Br)s2)c1C(=O)N1CCOCC1
InChIInChI=1S/C15H16Br2N4O3S/c1-2-21-12(15(23)20-3-5-24-6-4-20)10(8-18-21)19-14(22)11-7-9(16)13(17)25-11/h7-8H,2-6H2,1H3,(H,19,22)
InChIKeyAIZJQMRAXZLVCO-UHFFFAOYSA-N
XLogP3.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide
CID 17022862
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
3-[4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471371
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480868
3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509579
3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510190
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338974
1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea
CID 19449716
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509273

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide (CID 19338922) is 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide is CCn1ncc(NC(=O)c2cc(Br)c(Br)s2)c1C(=O)N1CCOCC1.
What is the InChIKey of 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is AIZJQMRAXZLVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N4O3S/c1-2-21-12(15(23)20-3-5-24-6-4-20)10(8-18-21)19-14(22)11-7-9(16)13(17)25-11/h7-8H,2-6H2,1H3,(H,19,22).
What are the key properties of 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 492.19 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19338922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).