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

C22H24N4O5S — CID 666379

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)CC(C)O1
InChIInChI=1S/C22H24N4O5S/c1-14-12-26(13-15(2)31-14)32(29,30)17-9-7-16(8-10-17)23-22(28)20-11-19(24-25-20)18-5-3-4-6-21(18)27/h3-11,14-15,27H,12-13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyNBKLJDOWJLNSOU-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.83
Rot. Bonds5

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

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 666379) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID666379
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)CC(C)O1
InChIInChI=1S/C22H24N4O5S/c1-14-12-26(13-15(2)31-14)32(29,30)17-9-7-16(8-10-17)23-22(28)20-11-19(24-25-20)18-5-3-4-6-21(18)27/h3-11,14-15,27H,12-13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyNBKLJDOWJLNSOU-UHFFFAOYSA-N
XLogP2.83
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.83
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-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 666379) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is CC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NBKLJDOWJLNSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-14-12-26(13-15(2)31-14)32(29,30)17-9-7-16(8-10-17)23-22(28)20-11-19(24-25-20)18-5-3-4-6-21(18)27/h3-11,14-15,27H,12-13H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 2.83, 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-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 666379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).