N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide

C9H8BrN3O2 — CID 2808841

IUPACN-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide
SMILESCn1ncc(Br)c1NC(=O)c1ccco1
InChIInChI=1S/C9H8BrN3O2/c1-13-8(6(10)5-11-13)12-9(14)7-3-2-4-15-7/h2-5H,1H3,(H,12,14)
InChIKeyKPJVBGDGSVKCNN-UHFFFAOYSA-N
MW270.09 g/mol
LogP2.03
Rot. Bonds2

About N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide

N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide (PubChem CID 2808841) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide
PubChem CID2808841
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC NameN-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide
SMILESCn1ncc(Br)c1NC(=O)c1ccco1
InChIInChI=1S/C9H8BrN3O2/c1-13-8(6(10)5-11-13)12-9(14)7-3-2-4-15-7/h2-5H,1H3,(H,12,14)
InChIKeyKPJVBGDGSVKCNN-UHFFFAOYSA-N
XLogP2.03
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide (CID 2808841) is N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide is Cn1ncc(Br)c1NC(=O)c1ccco1.
What is the InChIKey of N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide?
The InChIKey is KPJVBGDGSVKCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-13-8(6(10)5-11-13)12-9(14)7-3-2-4-15-7/h2-5H,1H3,(H,12,14).
What are the key properties of N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide?
N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide has a molecular weight of 270.09 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methylpyrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 2808841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).