N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide

C23H26N4O5S — CID 666155

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)[nH]n2)c1
InChIInChI=1S/C23H26N4O5S/c1-14-4-9-22(28)19(10-14)20-11-21(26-25-20)23(29)24-17-5-7-18(8-6-17)33(30,31)27-12-15(2)32-16(3)13-27/h4-11,15-16,28H,12-13H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyJFTDLQAHHBPKSL-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.14
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 666155) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID666155
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)[nH]n2)c1
InChIInChI=1S/C23H26N4O5S/c1-14-4-9-22(28)19(10-14)20-11-21(26-25-20)23(29)24-17-5-7-18(8-6-17)33(30,31)27-12-15(2)32-16(3)13-27/h4-11,15-16,28H,12-13H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyJFTDLQAHHBPKSL-UHFFFAOYSA-N
XLogP3.14
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide (CID 666155) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)[nH]n2)c1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JFTDLQAHHBPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-14-4-9-22(28)19(10-14)20-11-21(26-25-20)23(29)24-17-5-7-18(8-6-17)33(30,31)27-12-15(2)32-16(3)13-27/h4-11,15-16,28H,12-13H2,1-3H3,(H,24,29)(H,25,26).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 666155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).