5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide

C11H11BrN4O3 — CID 47038570

IUPAC5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n[nH]1
InChIInChI=1S/C11H11BrN4O3/c1-6-4-9(16-15-6)14-10(17)5-13-11(18)7-2-3-8(12)19-7/h2-4H,5H2,1H3,(H,13,18)(H2,14,15,16,17)
InChIKeyBGWKYBGOBRIYTJ-UHFFFAOYSA-N
MW327.14 g/mol
LogP1.44
Rot. Bonds4

About 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 47038570) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID47038570
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n[nH]1
InChIInChI=1S/C11H11BrN4O3/c1-6-4-9(16-15-6)14-10(17)5-13-11(18)7-2-3-8(12)19-7/h2-4H,5H2,1H3,(H,13,18)(H2,14,15,16,17)
InChIKeyBGWKYBGOBRIYTJ-UHFFFAOYSA-N
XLogP1.44
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide (CID 47038570) is 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide is Cc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n[nH]1.
What is the InChIKey of 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is BGWKYBGOBRIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c1-6-4-9(16-15-6)14-10(17)5-13-11(18)7-2-3-8(12)19-7/h2-4H,5H2,1H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 327.14 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 47038570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).