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

C10H10BrN3O2 — CID 39891817

IUPAC5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C10H10BrN3O2/c1-14-6-7(5-13-14)4-12-10(15)8-2-3-9(11)16-8/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyTWROOCWPKLJANT-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.71
Rot. Bonds3

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

5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 39891817) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID39891817
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C10H10BrN3O2/c1-14-6-7(5-13-14)4-12-10(15)8-2-3-9(11)16-8/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyTWROOCWPKLJANT-UHFFFAOYSA-N
XLogP1.71
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 39891817) is 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is Cn1cc(CNC(=O)c2ccc(Br)o2)cn1.
What is the InChIKey of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is TWROOCWPKLJANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-14-6-7(5-13-14)4-12-10(15)8-2-3-9(11)16-8/h2-3,5-6H,4H2,1H3,(H,12,15).
What are the key properties of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 284.11 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 39891817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).