2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide

C13H13BrN4O2 — CID 91958659

IUPAC2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2cc3oc(Br)cc3n2C)n1
InChIInChI=1S/C13H13BrN4O2/c1-3-18-5-4-12(16-18)15-13(19)9-6-10-8(17(9)2)7-11(14)20-10/h4-7H,3H2,1-2H3,(H,15,16,19)
InChIKeyMLPQYRMZHJSQLE-UHFFFAOYSA-N
MW337.18 g/mol
LogP3.00
Rot. Bonds3

About 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958659) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91958659
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2cc3oc(Br)cc3n2C)n1
InChIInChI=1S/C13H13BrN4O2/c1-3-18-5-4-12(16-18)15-13(19)9-6-10-8(17(9)2)7-11(14)20-10/h4-7H,3H2,1-2H3,(H,15,16,19)
InChIKeyMLPQYRMZHJSQLE-UHFFFAOYSA-N
XLogP3.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-methyl-N-(5-methyl-2-propylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958679
2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958694
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114252342
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
CID 35286238

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 91958659) is 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide is CCn1ccc(NC(=O)c2cc3oc(Br)cc3n2C)n1.
What is the InChIKey of 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MLPQYRMZHJSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-3-18-5-4-12(16-18)15-13(19)9-6-10-8(17(9)2)7-11(14)20-10/h4-7H,3H2,1-2H3,(H,15,16,19).
What are the key properties of 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).