4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide

C20H19BrN4O2 — CID 91959057

IUPAC4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cc2oc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C20H19BrN4O2/c1-13(2)25-19(8-9-22-25)23-20(26)16-10-17-15(11-18(21)27-17)24(16)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyKMZSUHAHDZMHPX-UHFFFAOYSA-N
MW427.30 g/mol
LogP5.07
Rot. Bonds5

About 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide

4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91959057) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91959057
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cc2oc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C20H19BrN4O2/c1-13(2)25-19(8-9-22-25)23-20(26)16-10-17-15(11-18(21)27-17)24(16)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyKMZSUHAHDZMHPX-UHFFFAOYSA-N
XLogP5.07
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-bromo-N-(2-butan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959051
4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 91959049
2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959028
(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959090
(2S)-2-benzylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 99841181
benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 130581119
2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958897
3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186121
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958685
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62954369
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 24695142

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide (CID 91959057) is 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide is CC(C)n1nccc1NC(=O)c1cc2oc(Br)cc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KMZSUHAHDZMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-13(2)25-19(8-9-22-25)23-20(26)16-10-17-15(11-18(21)27-17)24(16)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide?
4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91959057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).