3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide

C12H17N5O2S — CID 79234839

IUPAC3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccnc(C)c2)c(N)n1
InChIInChI=1S/C12H17N5O2S/c1-3-6-17-8-11(12(13)15-17)20(18,19)16-10-4-5-14-9(2)7-10/h4-5,7-8H,3,6H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyWXQLBGFDQQAURB-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.38
Rot. Bonds5

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

3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 79234839) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
PubChem CID79234839
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccnc(C)c2)c(N)n1
InChIInChI=1S/C12H17N5O2S/c1-3-6-17-8-11(12(13)15-17)20(18,19)16-10-4-5-14-9(2)7-10/h4-5,7-8H,3,6H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyWXQLBGFDQQAURB-UHFFFAOYSA-N
XLogP1.38
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517
3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60809409
3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide
CID 116794715
3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863
3-amino-N-(3-methyl-1,2-oxazol-5-yl)-1-propylpyrazole-4-sulfonamide
CID 54922469
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
3-amino-N-(3-chloro-5-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 107363544
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-N-(4-chloro-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 61110443
3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide
CID 107624592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide (CID 79234839) is 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccnc(C)c2)c(N)n1.
What is the InChIKey of 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is WXQLBGFDQQAURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-6-17-8-11(12(13)15-17)20(18,19)16-10-4-5-14-9(2)7-10/h4-5,7-8H,3,6H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 79234839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).