4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine

C17H17N3O3S — CID 972857

IUPAC4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccccc1S(=O)(=O)n1cc(Cc2ccccc2)c(N)n1
InChIInChI=1S/C17H17N3O3S/c1-23-15-9-5-6-10-16(15)24(21,22)20-12-14(17(18)19-20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,19)
InChIKeyHCBCCAVVNMWGMG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.30
Rot. Bonds5

About 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine

4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine (PubChem CID 972857) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine
PubChem CID972857
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccccc1S(=O)(=O)n1cc(Cc2ccccc2)c(N)n1
InChIInChI=1S/C17H17N3O3S/c1-23-15-9-5-6-10-16(15)24(21,22)20-12-14(17(18)19-20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,19)
InChIKeyHCBCCAVVNMWGMG-UHFFFAOYSA-N
XLogP2.30
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine (CID 972857) is 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine is COc1ccccc1S(=O)(=O)n1cc(Cc2ccccc2)c(N)n1.
What is the InChIKey of 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine?
The InChIKey is HCBCCAVVNMWGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-23-15-9-5-6-10-16(15)24(21,22)20-12-14(17(18)19-20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,19).
What are the key properties of 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine?
4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine has a molecular weight of 343.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-methoxyphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 972857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).