3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide

C17H23N5O3S — CID 72890884

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(C2CCN(C(=O)Nc3cc(S(N)(=O)=O)ccc3C)C2)n1
InChIInChI=1S/C17H23N5O3S/c1-11-4-5-15(26(18,24)25)9-16(11)19-17(23)21-7-6-14(10-21)22-13(3)8-12(2)20-22/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,19,23)(H2,18,24,25)
InChIKeyKGSMBJVTSHDQGQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.93
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide

3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide (PubChem CID 72890884) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide
PubChem CID72890884
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(C2CCN(C(=O)Nc3cc(S(N)(=O)=O)ccc3C)C2)n1
InChIInChI=1S/C17H23N5O3S/c1-11-4-5-15(26(18,24)25)9-16(11)19-17(23)21-7-6-14(10-21)22-13(3)8-12(2)20-22/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,19,23)(H2,18,24,25)
InChIKeyKGSMBJVTSHDQGQ-UHFFFAOYSA-N
XLogP1.93
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)pyrrolidine-1-carboxamide
CID 126432771
(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 97436775
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-1-carboxamide
CID 97456253
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 97435687
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
2-(cyclopropylmethylsulfanyl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 97142971
N-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 70766606
3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 121496221
2-[3-(2-aminoethoxy)phenyl]-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 126427678

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide (CID 72890884) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide is Cc1cc(C)n(C2CCN(C(=O)Nc3cc(S(N)(=O)=O)ccc3C)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KGSMBJVTSHDQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-11-4-5-15(26(18,24)25)9-16(11)19-17(23)21-7-6-14(10-21)22-13(3)8-12(2)20-22/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,19,23)(H2,18,24,25).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72890884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).