3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

C20H16N6O3S — CID 118947524

IUPAC3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H16N6O3S/c27-19(18-13-17(24-25-18)14-6-2-1-3-7-14)23-15-8-4-9-16(12-15)30(28,29)26-20-21-10-5-11-22-20/h1-13H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyDKJHEAXETHNWHY-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.92
Rot. Bonds6

About 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 118947524) has the molecular formula C20H16N6O3S and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID118947524
Molecular FormulaC20H16N6O3S
Molecular Weight420.45 g/mol
Exact Mass420.10
IUPAC Name3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H16N6O3S/c27-19(18-13-17(24-25-18)14-6-2-1-3-7-14)23-15-8-4-9-16(12-15)30(28,29)26-20-21-10-5-11-22-20/h1-13H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyDKJHEAXETHNWHY-UHFFFAOYSA-N
XLogP2.92
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
N-[3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 27689349
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 24541019
N-(3-hydroxy-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 18109569
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17430765
3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 55791873
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087479

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (CID 118947524) is 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DKJHEAXETHNWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3S/c27-19(18-13-17(24-25-18)14-6-2-1-3-7-14)23-15-8-4-9-16(12-15)30(28,29)26-20-21-10-5-11-22-20/h1-13H,(H,23,27)(H,24,25)(H,21,22,26).
What are the key properties of 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118947524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).