3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

C11H17N5O2S — CID 62904467

IUPAC3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H17N5O2S/c1-7(2)16-6-10(5-12-16)15-19(17,18)11-8(3)13-14-9(11)4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyPWKUDHSZNCYHLU-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.60
Rot. Bonds4

About 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 62904467) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID62904467
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H17N5O2S/c1-7(2)16-6-10(5-12-16)15-19(17,18)11-8(3)13-14-9(11)4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyPWKUDHSZNCYHLU-UHFFFAOYSA-N
XLogP1.60
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
CID 106056788
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 113462575
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62903564
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 62902814
3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 39837097
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79049840
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383213

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 62904467) is 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PWKUDHSZNCYHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-7(2)16-6-10(5-12-16)15-19(17,18)11-8(3)13-14-9(11)4/h5-7,15H,1-4H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62904467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).