1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine

C17H16FN3O3S — CID 5307562

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C17H16FN3O3S/c1-11-9-12(7-8-14(11)18)25(22,23)21-17(19)10-15(20-21)13-5-3-4-6-16(13)24-2/h3-10H,19H2,1-2H3
InChIKeyLWFIBLCVEXHJFH-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine

1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine (PubChem CID 5307562) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
PubChem CID5307562
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C17H16FN3O3S/c1-11-9-12(7-8-14(11)18)25(22,23)21-17(19)10-15(20-21)13-5-3-4-6-16(13)24-2/h3-10H,19H2,1-2H3
InChIKeyLWFIBLCVEXHJFH-UHFFFAOYSA-N
XLogP2.83
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine (CID 5307562) is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine is COc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine?
The InChIKey is LWFIBLCVEXHJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-11-9-12(7-8-14(11)18)25(22,23)21-17(19)10-15(20-21)13-5-3-4-6-16(13)24-2/h3-10H,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine?
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine has a molecular weight of 361.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 5307562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).