5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide

C13H15Br2N3O2 — CID 4772785

IUPAC5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2ccc(Br)o2)c(C)c1Br
InChIInChI=1S/C13H15Br2N3O2/c1-8-12(15)9(2)18(17-8)7-3-6-16-13(19)10-4-5-11(14)20-10/h4-5H,3,6-7H2,1-2H3,(H,16,19)
InChIKeyQNPIPFDSZVBDOO-UHFFFAOYSA-N
MW405.09 g/mol
LogP3.44
Rot. Bonds5

About 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide

5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide (PubChem CID 4772785) has the molecular formula C13H15Br2N3O2 and a molecular weight of 405.09 g/mol. Its IUPAC name is 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
PubChem CID4772785
Molecular FormulaC13H15Br2N3O2
Molecular Weight405.09 g/mol
Exact Mass402.95
IUPAC Name5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2ccc(Br)o2)c(C)c1Br
InChIInChI=1S/C13H15Br2N3O2/c1-8-12(15)9(2)18(17-8)7-3-6-16-13(19)10-4-5-11(14)20-10/h4-5H,3,6-7H2,1-2H3,(H,16,19)
InChIKeyQNPIPFDSZVBDOO-UHFFFAOYSA-N
XLogP3.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416094
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19330146
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19330078
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 35284531
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417132
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19330046
5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide
CID 42138710
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19330154
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327860
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19454971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide (CID 4772785) is 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide is Cc1nn(CCCNC(=O)c2ccc(Br)o2)c(C)c1Br.
What is the InChIKey of 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
The InChIKey is QNPIPFDSZVBDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O2/c1-8-12(15)9(2)18(17-8)7-3-6-16-13(19)10-4-5-11(14)20-10/h4-5H,3,6-7H2,1-2H3,(H,16,19).
What are the key properties of 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide has a molecular weight of 405.09 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 4772785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).