5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole

C17H15F3N4O3S — CID 57334325

IUPAC5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H15F3N4O3S/c1-27-14-8-2-11(3-9-14)15-10-16(17(18,19)20)22-24(15)13-6-4-12(5-7-13)23-28(21,25)26/h2-10,23H,1H3,(H2,21,25,26)
InChIKeyJPQKOTQHESRDCU-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.18
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole

5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 57334325) has the molecular formula C17H15F3N4O3S and a molecular weight of 412.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
PubChem CID57334325
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39 g/mol
Exact Mass412.08
IUPAC Name5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H15F3N4O3S/c1-27-14-8-2-11(3-9-14)15-10-16(17(18,19)20)22-24(15)13-6-4-12(5-7-13)23-28(21,25)26/h2-10,23H,1H3,(H2,21,25,26)
InChIKeyJPQKOTQHESRDCU-UHFFFAOYSA-N
XLogP3.18
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 70684232
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol
CID 54319002
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 21090959
N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
CID 10524951
[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine;hydrochloride
CID 21090957
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 58806843
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727532
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylacetamide
CID 58806574
N-methyl-4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 11794986
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]acetamide
CID 58806583

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole (CID 57334325) is 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole is COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NS(N)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is JPQKOTQHESRDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S/c1-27-14-8-2-11(3-9-14)15-10-16(17(18,19)20)22-24(15)13-6-4-12(5-7-13)23-28(21,25)26/h2-10,23H,1H3,(H2,21,25,26).
What are the key properties of 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 412.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 57334325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).