1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine

C23H25N5O2S — CID 129173867

IUPAC1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCS(=O)(=O)c1ccc(-c2cccc(-c3nccn3C)c2)cc1
InChIInChI=1S/C23H25N5O2S/c1-16-22(17(2)28(4)26-16)25-15-31(29,30)21-10-8-18(9-11-21)19-6-5-7-20(14-19)23-24-12-13-27(23)3/h5-14,25H,15H2,1-4H3
InChIKeyGGSYXBGUOQWZFF-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.95
Rot. Bonds6

About 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine

1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine (PubChem CID 129173867) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine
PubChem CID129173867
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCS(=O)(=O)c1ccc(-c2cccc(-c3nccn3C)c2)cc1
InChIInChI=1S/C23H25N5O2S/c1-16-22(17(2)28(4)26-16)25-15-31(29,30)21-10-8-18(9-11-21)19-6-5-7-20(14-19)23-24-12-13-27(23)3/h5-14,25H,15H2,1-4H3
InChIKeyGGSYXBGUOQWZFF-UHFFFAOYSA-N
XLogP3.95
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine (CID 129173867) is 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine is Cc1nn(C)c(C)c1NCS(=O)(=O)c1ccc(-c2cccc(-c3nccn3C)c2)cc1.
What is the InChIKey of 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine?
The InChIKey is GGSYXBGUOQWZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16-22(17(2)28(4)26-16)25-15-31(29,30)21-10-8-18(9-11-21)19-6-5-7-20(14-19)23-24-12-13-27(23)3/h5-14,25H,15H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine has a molecular weight of 435.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine is sourced from PubChem (CID 129173867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).