N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C23H22N6O6S — CID 19508767

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)[nH]n2)cc1
InChIInChI=1S/C23H22N6O6S/c1-33-16-8-4-14(5-9-16)18-12-19(28-27-18)22(30)24-15-6-10-17(11-7-15)36(31,32)29-20-13-21(34-2)26-23(25-20)35-3/h4-13H,1-3H3,(H,24,30)(H,27,28)(H,25,26,29)
InChIKeyDUPWOEPYRLAGTC-UHFFFAOYSA-N
MW510.53 g/mol
LogP2.95
Rot. Bonds9

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19508767) has the molecular formula C23H22N6O6S and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19508767
Molecular FormulaC23H22N6O6S
Molecular Weight510.53 g/mol
Exact Mass510.13
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)[nH]n2)cc1
InChIInChI=1S/C23H22N6O6S/c1-33-16-8-4-14(5-9-16)18-12-19(28-27-18)22(30)24-15-6-10-17(11-7-15)36(31,32)29-20-13-21(34-2)26-23(25-20)35-3/h4-13H,1-3H3,(H,24,30)(H,27,28)(H,25,26,29)
InChIKeyDUPWOEPYRLAGTC-UHFFFAOYSA-N
XLogP2.95
TPSA157.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
CID 1381291
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 4936152
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)thiourea
CID 4985480
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide bromide
CID 53347266
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 25044682
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19508767) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)[nH]n2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DUPWOEPYRLAGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O6S/c1-33-16-8-4-14(5-9-16)18-12-19(28-27-18)22(30)24-15-6-10-17(11-7-15)36(31,32)29-20-13-21(34-2)26-23(25-20)35-3/h4-13H,1-3H3,(H,24,30)(H,27,28)(H,25,26,29).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).