3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide

C14H20N4O2S — CID 60815014

IUPAC3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC)c2ccccc2)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-3-10-17-11-13(14(15)16-17)21(19,20)18(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,15,16)
InChIKeyDDWLBIZVGUWLQZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.09
Rot. Bonds6

About 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide

3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide (PubChem CID 60815014) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide
PubChem CID60815014
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC)c2ccccc2)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-3-10-17-11-13(14(15)16-17)21(19,20)18(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,15,16)
InChIKeyDDWLBIZVGUWLQZ-UHFFFAOYSA-N
XLogP2.09
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfaphenazole
CID 5335
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 11100382
4-Azido-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10617103
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
2,2,2-trifluoro-N-(4-{[(1-methyl-1H-pyrazol-5-yl)amino]sulfonyl}phenyl)acetamide
CID 2808730
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
N-(2-Phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10709273
4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-N-propyl-benzenesulfonamide
CID 10861208
4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11078396
4-Amino-N-butyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11046887
4-Amino-N-methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10925491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide (CID 60815014) is 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CC)c2ccccc2)c(N)n1.
What is the InChIKey of 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is DDWLBIZVGUWLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-10-17-11-13(14(15)16-17)21(19,20)18(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,15,16).
What are the key properties of 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide?
3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60815014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).