1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide

C12H21N5O3S — CID 106317535

IUPAC1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C12H21N5O3S/c1-8-9(10(13)15-16(8)4)21(19,20)17-6-5-12(2,7-17)11(18)14-3/h5-7H2,1-4H3,(H2,13,15)(H,14,18)
InChIKeyJBUVVLNWVGMIAB-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.54
Rot. Bonds3

About 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide

1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317535) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317535
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C12H21N5O3S/c1-8-9(10(13)15-16(8)4)21(19,20)17-6-5-12(2,7-17)11(18)14-3/h5-7H2,1-4H3,(H2,13,15)(H,14,18)
InChIKeyJBUVVLNWVGMIAB-UHFFFAOYSA-N
XLogP-0.54
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 105358968
1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317548
N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
CID 106150904
4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161279
N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
CID 106321152
3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 105359302
1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 105357945
1-(2-chloroethylsulfonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321277
2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 105359381
4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 105359252
3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
CID 105359105
1-[3-aminopropyl(methyl)sulfamoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318053

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317535) is 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(S(=O)(=O)c2c(N)nn(C)c2C)C1.
What is the InChIKey of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is JBUVVLNWVGMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-8-9(10(13)15-16(8)4)21(19,20)17-6-5-12(2,7-17)11(18)14-3/h5-7H2,1-4H3,(H2,13,15)(H,14,18).
What are the key properties of 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).