N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide

C17H23N5O3S — CID 134088370

IUPACN-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)C2NNCC2C(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C17H23N5O3S/c1-10-5-11(2)7-14(6-10)21-26(24,25)16-15(9-18-19-16)17(23)22-13(4)8-12(3)20-22/h5-8,15-16,18-19,21H,9H2,1-4H3
InChIKeyKDHABUWDGULWQJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.25
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide

N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide (PubChem CID 134088370) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide
PubChem CID134088370
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)C2NNCC2C(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C17H23N5O3S/c1-10-5-11(2)7-14(6-10)21-26(24,25)16-15(9-18-19-16)17(23)22-13(4)8-12(3)20-22/h5-8,15-16,18-19,21H,9H2,1-4H3
InChIKeyKDHABUWDGULWQJ-UHFFFAOYSA-N
XLogP1.25
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide (CID 134088370) is N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)C2NNCC2C(=O)n2nc(C)cc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide?
The InChIKey is KDHABUWDGULWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-10-5-11(2)7-14(6-10)21-26(24,25)16-15(9-18-19-16)17(23)22-13(4)8-12(3)20-22/h5-8,15-16,18-19,21H,9H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide?
N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide is sourced from PubChem (CID 134088370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).