5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide

C13H15BrN4O3 — CID 115619805

IUPAC5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide
SMILESCCCc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n[nH]1
InChIInChI=1S/C13H15BrN4O3/c1-2-3-8-6-11(18-17-8)16-12(19)7-15-13(20)9-4-5-10(14)21-9/h4-6H,2-3,7H2,1H3,(H,15,20)(H2,16,17,18,19)
InChIKeyKOKQZRIXFVNWNO-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.09
Rot. Bonds6

About 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 115619805) has the molecular formula C13H15BrN4O3 and a molecular weight of 355.19 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide
PubChem CID115619805
Molecular FormulaC13H15BrN4O3
Molecular Weight355.19 g/mol
Exact Mass354.03
IUPAC Name5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide
SMILESCCCc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n[nH]1
InChIInChI=1S/C13H15BrN4O3/c1-2-3-8-6-11(18-17-8)16-12(19)7-15-13(20)9-4-5-10(14)21-9/h4-6H,2-3,7H2,1H3,(H,15,20)(H2,16,17,18,19)
InChIKeyKOKQZRIXFVNWNO-UHFFFAOYSA-N
XLogP2.09
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47038570
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
N-[3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propyl]furan-2-carboxamide
CID 115619809
2-(cyclopentylamino)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433550
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104853008
2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621179
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115686752

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide (CID 115619805) is 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide is CCCc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)n[nH]1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is KOKQZRIXFVNWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O3/c1-2-3-8-6-11(18-17-8)16-12(19)7-15-13(20)9-4-5-10(14)21-9/h4-6H,2-3,7H2,1H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide has a molecular weight of 355.19 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 115619805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).