3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide

C14H20N4O2S — CID 60814863

IUPAC3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(C)cc2C)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-4-7-18-9-13(14(15)16-18)21(19,20)17-12-6-5-10(2)8-11(12)3/h5-6,8-9,17H,4,7H2,1-3H3,(H2,15,16)
InChIKeyZDZQSTDWHKFRGJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60814863) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
PubChem CID60814863
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(C)cc2C)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-4-7-18-9-13(14(15)16-18)21(19,20)17-12-6-5-10(2)8-11(12)3/h5-6,8-9,17H,4,7H2,1-3H3,(H2,15,16)
InChIKeyZDZQSTDWHKFRGJ-UHFFFAOYSA-N
XLogP2.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide (CID 60814863) is 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccc(C)cc2C)c(N)n1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is ZDZQSTDWHKFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-7-18-9-13(14(15)16-18)21(19,20)17-12-6-5-10(2)8-11(12)3/h5-6,8-9,17H,4,7H2,1-3H3,(H2,15,16).
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60814863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).