3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine

C14H19N3O4S — CID 5307692

IUPAC3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine
SMILESCCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C14H19N3O4S/c1-4-7-22(18,19)17-14(15)9-12(16-17)11-6-5-10(20-2)8-13(11)21-3/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyPKXCNXYVQNXMJX-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.74
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine

3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine (PubChem CID 5307692) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine
PubChem CID5307692
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine
SMILESCCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C14H19N3O4S/c1-4-7-22(18,19)17-14(15)9-12(16-17)11-6-5-10(20-2)8-13(11)21-3/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyPKXCNXYVQNXMJX-UHFFFAOYSA-N
XLogP1.74
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine (CID 5307692) is 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine is CCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine?
The InChIKey is PKXCNXYVQNXMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-4-7-22(18,19)17-14(15)9-12(16-17)11-6-5-10(20-2)8-13(11)21-3/h5-6,8-9H,4,7,15H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine?
3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine has a molecular weight of 325.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-propylsulfonylpyrazol-5-amine is sourced from PubChem (CID 5307692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).