3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide

C22H20N6O4S — CID 118947360

IUPAC3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ncccn3)cc2)[nH]n1
InChIInChI=1S/C22H20N6O4S/c1-28(22-23-12-5-13-24-22)33(30,31)16-10-8-15(9-11-16)25-21(29)19-14-18(26-27-19)17-6-3-4-7-20(17)32-2/h3-14H,1-2H3,(H,25,29)(H,26,27)
InChIKeyDUBULLZXVQHPGQ-UHFFFAOYSA-N
MW464.51 g/mol
LogP2.95
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 118947360) has the molecular formula C22H20N6O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID118947360
Molecular FormulaC22H20N6O4S
Molecular Weight464.51 g/mol
Exact Mass464.13
IUPAC Name3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ncccn3)cc2)[nH]n1
InChIInChI=1S/C22H20N6O4S/c1-28(22-23-12-5-13-24-22)33(30,31)16-10-8-15(9-11-16)25-21(29)19-14-18(26-27-19)17-6-3-4-7-20(17)32-2/h3-14H,1-2H3,(H,25,29)(H,26,27)
InChIKeyDUBULLZXVQHPGQ-UHFFFAOYSA-N
XLogP2.95
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide (CID 118947360) is 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ncccn3)cc2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DUBULLZXVQHPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4S/c1-28(22-23-12-5-13-24-22)33(30,31)16-10-8-15(9-11-16)25-21(29)19-14-18(26-27-19)17-6-3-4-7-20(17)32-2/h3-14H,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118947360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).