3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C18H20N6O3S — CID 19553877

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1
InChIInChI=1S/C18H20N6O3S/c1-13-12-14(2)24(22-13)11-8-17(25)21-15-4-6-16(7-5-15)28(26,27)23-18-19-9-3-10-20-18/h3-7,9-10,12H,8,11H2,1-2H3,(H,21,25)(H,19,20,23)
InChIKeyCPQSDSOMUWDBAC-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.12
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 19553877) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID19553877
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1
InChIInChI=1S/C18H20N6O3S/c1-13-12-14(2)24(22-13)11-8-17(25)21-15-4-6-16(7-5-15)28(26,27)23-18-19-9-3-10-20-18/h3-7,9-10,12H,8,11H2,1-2H3,(H,21,25)(H,19,20,23)
InChIKeyCPQSDSOMUWDBAC-UHFFFAOYSA-N
XLogP2.12
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19466051
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 30659870
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19568038
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 108794988
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 30396729
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19525155
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 19553877) is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is Cc1cc(C)n(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is CPQSDSOMUWDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-13-12-14(2)24(22-13)11-8-17(25)21-15-4-6-16(7-5-15)28(26,27)23-18-19-9-3-10-20-18/h3-7,9-10,12H,8,11H2,1-2H3,(H,21,25)(H,19,20,23).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 400.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 19553877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).