3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide

C13H18N4O2S — CID 60808427

IUPAC3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccccc2C)c(N)n1
InChIInChI=1S/C13H18N4O2S/c1-3-8-17-9-12(13(14)15-17)20(18,19)16-11-7-5-4-6-10(11)2/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15)
InChIKeyXWUUOVCOGOLNIA-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.98
Rot. Bonds5

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

3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60808427) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
PubChem CID60808427
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccccc2C)c(N)n1
InChIInChI=1S/C13H18N4O2S/c1-3-8-17-9-12(13(14)15-17)20(18,19)16-11-7-5-4-6-10(11)2/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15)
InChIKeyXWUUOVCOGOLNIA-UHFFFAOYSA-N
XLogP1.98
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863
3-amino-N-(2-methoxyphenyl)-1-propylpyrazole-4-sulfonamide
CID 60810232
3-amino-N-(4-chloro-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 61110443
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517
3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide
CID 107624592
3-amino-N-(2-chloro-4-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60808125
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
CID 79234839
3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
CID 60814855
3-amino-N-(3-methyl-1,2-oxazol-5-yl)-1-propylpyrazole-4-sulfonamide
CID 54922469
3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521
3-amino-1-propyl-N-(1-pyridin-2-ylethyl)pyrazole-4-sulfonamide
CID 60808797

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide (CID 60808427) is 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccccc2C)c(N)n1.
What is the InChIKey of 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is XWUUOVCOGOLNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-8-17-9-12(13(14)15-17)20(18,19)16-11-7-5-4-6-10(11)2/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.98, 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-methylphenyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).