3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine

C17H17N3O3S — CID 91872028

IUPAC3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-23-14-7-3-12(4-8-14)16-11-17(18)20(19-16)13-5-9-15(10-6-13)24(2,21)22/h3-11H,18H2,1-2H3
InChIKeyRQHZJJCRJRMSNU-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.53
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine

3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine (PubChem CID 91872028) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
PubChem CID91872028
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-23-14-7-3-12(4-8-14)16-11-17(18)20(19-16)13-5-9-15(10-6-13)24(2,21)22/h3-11H,18H2,1-2H3
InChIKeyRQHZJJCRJRMSNU-UHFFFAOYSA-N
XLogP2.53
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine (CID 91872028) is 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine is COc1ccc(-c2cc(N)n(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine?
The InChIKey is RQHZJJCRJRMSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-23-14-7-3-12(4-8-14)16-11-17(18)20(19-16)13-5-9-15(10-6-13)24(2,21)22/h3-11H,18H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine?
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine has a molecular weight of 343.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine is sourced from PubChem (CID 91872028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).