4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide

C20H19BrN4O2 — CID 91959049

IUPAC4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1c(CNC(=O)c2cc3oc(Br)cc3n2Cc2ccccc2)cnn1C
InChIInChI=1S/C20H19BrN4O2/c1-13-15(11-23-24(13)2)10-22-20(26)17-8-18-16(9-19(21)27-18)25(17)12-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3,(H,22,26)
InChIKeyHZCSIMBIOFDSFO-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.02
Rot. Bonds5

About 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide

4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91959049) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91959049
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1c(CNC(=O)c2cc3oc(Br)cc3n2Cc2ccccc2)cnn1C
InChIInChI=1S/C20H19BrN4O2/c1-13-15(11-23-24(13)2)10-22-20(26)17-8-18-16(9-19(21)27-18)25(17)12-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3,(H,22,26)
InChIKeyHZCSIMBIOFDSFO-UHFFFAOYSA-N
XLogP4.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959057
4-benzyl-2-bromo-N-(2-butan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959051
4-[[(1-benzylindole-2-carbonyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167919345
N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791646
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959003
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865305
(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959090
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103861005
2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958897
(4-benzylpiperazin-1-yl)-(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 91958676
4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 3398298

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide (CID 91959049) is 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide is Cc1c(CNC(=O)c2cc3oc(Br)cc3n2Cc2ccccc2)cnn1C.
What is the InChIKey of 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HZCSIMBIOFDSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-13-15(11-23-24(13)2)10-22-20(26)17-8-18-16(9-19(21)27-18)25(17)12-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3,(H,22,26).
What are the key properties of 4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.02, 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-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91959049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).