5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide

C18H17BrN4O3 — CID 55774997

IUPAC5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C18H17BrN4O3/c19-16-7-6-15(26-16)18(25)22-14-5-1-4-13(12-14)17(24)20-8-2-10-23-11-3-9-21-23/h1,3-7,9,11-12H,2,8,10H2,(H,20,24)(H,22,25)
InChIKeyWCKFCZXIJUTVRU-UHFFFAOYSA-N
MW417.26 g/mol
LogP3.31
Rot. Bonds7

About 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide

5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 55774997) has the molecular formula C18H17BrN4O3 and a molecular weight of 417.26 g/mol. Its IUPAC name is 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID55774997
Molecular FormulaC18H17BrN4O3
Molecular Weight417.26 g/mol
Exact Mass416.05
IUPAC Name5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C18H17BrN4O3/c19-16-7-6-15(26-16)18(25)22-14-5-1-4-13(12-14)17(24)20-8-2-10-23-11-3-9-21-23/h1,3-7,9,11-12H,2,8,10H2,(H,20,24)(H,22,25)
InChIKeyWCKFCZXIJUTVRU-UHFFFAOYSA-N
XLogP3.31
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-[3-[3-(furan-2-ylmethoxy)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55794211
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide (CID 55774997) is 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NCCCn1cccn1)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is WCKFCZXIJUTVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3/c19-16-7-6-15(26-16)18(25)22-14-5-1-4-13(12-14)17(24)20-8-2-10-23-11-3-9-21-23/h1,3-7,9,11-12H,2,8,10H2,(H,20,24)(H,22,25).
What are the key properties of 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 417.26 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55774997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).