N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C20H21BrN4O4S — CID 55776523

IUPACN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H21BrN4O4S/c1-14-18(30(27,28)24-9-2-3-10-24)12-17(29-14)20(26)23-19-7-8-22-25(19)13-15-5-4-6-16(21)11-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,23,26)
InChIKeyNEOJYESIPIDITP-UHFFFAOYSA-N
MW493.38 g/mol
LogP3.63
Rot. Bonds6

About N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55776523) has the molecular formula C20H21BrN4O4S and a molecular weight of 493.38 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55776523
Molecular FormulaC20H21BrN4O4S
Molecular Weight493.38 g/mol
Exact Mass492.05
IUPAC NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H21BrN4O4S/c1-14-18(30(27,28)24-9-2-3-10-24)12-17(29-14)20(26)23-19-7-8-22-25(19)13-15-5-4-6-16(21)11-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,23,26)
InChIKeyNEOJYESIPIDITP-UHFFFAOYSA-N
XLogP3.63
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761895
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112845525
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 47047247
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55776650
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119732827
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55776817
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
CID 112835204
5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 47045161
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55776753
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55776523) is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is NEOJYESIPIDITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O4S/c1-14-18(30(27,28)24-9-2-3-10-24)12-17(29-14)20(26)23-19-7-8-22-25(19)13-15-5-4-6-16(21)11-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,23,26).
What are the key properties of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 493.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55776523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).