5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide

C13H14BrN3O2 — CID 167834233

IUPAC5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC1CC(n2cccn2)C1
InChIInChI=1S/C13H14BrN3O2/c1-8-5-11(14)19-12(8)13(18)16-9-6-10(7-9)17-4-2-3-15-17/h2-5,9-10H,6-7H2,1H3,(H,16,18)
InChIKeyJAYGJEMOYGERBR-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide

5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide (PubChem CID 167834233) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide
PubChem CID167834233
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC1CC(n2cccn2)C1
InChIInChI=1S/C13H14BrN3O2/c1-8-5-11(14)19-12(8)13(18)16-9-6-10(7-9)17-4-2-3-15-17/h2-5,9-10H,6-7H2,1H3,(H,16,18)
InChIKeyJAYGJEMOYGERBR-UHFFFAOYSA-N
XLogP2.68
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
CID 47242145
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
CID 167929645
5-bromo-N-[(1S,2R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylfuran-2-carboxamide
CID 98234418
N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide
CID 154834349
3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
CID 166256214
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303
N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
CID 128915883
N-benzyl-5-bromo-3-methylfuran-2-carboxamide
CID 47242031
5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
CID 136526522
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 86787888
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667
(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide (CID 167834233) is 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide is Cc1cc(Br)oc1C(=O)NC1CC(n2cccn2)C1.
What is the InChIKey of 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide?
The InChIKey is JAYGJEMOYGERBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-5-11(14)19-12(8)13(18)16-9-6-10(7-9)17-4-2-3-15-17/h2-5,9-10H,6-7H2,1H3,(H,16,18).
What are the key properties of 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide?
5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide is sourced from PubChem (CID 167834233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).