3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide

C11H18N6O2S — CID 60808956

IUPAC3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cnn(CC)c2)c(N)n1
InChIInChI=1S/C11H18N6O2S/c1-3-5-17-8-10(11(12)14-17)20(18,19)15-9-6-13-16(4-2)7-9/h6-8,15H,3-5H2,1-2H3,(H2,12,14)
InChIKeyQBGMSRRNXNMGJC-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.89
Rot. Bonds6

About 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60808956) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID60808956
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cnn(CC)c2)c(N)n1
InChIInChI=1S/C11H18N6O2S/c1-3-5-17-8-10(11(12)14-17)20(18,19)15-9-6-13-16(4-2)7-9/h6-8,15H,3-5H2,1-2H3,(H2,12,14)
InChIKeyQBGMSRRNXNMGJC-UHFFFAOYSA-N
XLogP0.89
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
CID 79234839
3-amino-N-(3-chloro-5-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 107363544
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517
3-amino-N-(3-methyl-1,2-oxazol-5-yl)-1-propylpyrazole-4-sulfonamide
CID 54922469
3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60809409
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 60815193
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide (CID 60808956) is 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cnn(CC)c2)c(N)n1.
What is the InChIKey of 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is QBGMSRRNXNMGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-3-5-17-8-10(11(12)14-17)20(18,19)15-9-6-13-16(4-2)7-9/h6-8,15H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).