1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide

C17H19N5O3S — CID 122302530

IUPAC1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)c1C
InChIInChI=1S/C17H19N5O3S/c1-4-22-13(3)16(12(2)20-22)26(23,24)21-14-10-18-17(19-11-14)25-15-8-6-5-7-9-15/h5-11,21H,4H2,1-3H3
InChIKeyFCDLSLHKICYBBH-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.90
Rot. Bonds6

About 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide (PubChem CID 122302530) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide
PubChem CID122302530
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)c1C
InChIInChI=1S/C17H19N5O3S/c1-4-22-13(3)16(12(2)20-22)26(23,24)21-14-10-18-17(19-11-14)25-15-8-6-5-7-9-15/h5-11,21H,4H2,1-3H3
InChIKeyFCDLSLHKICYBBH-UHFFFAOYSA-N
XLogP2.90
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 75519495
1-ethyl-3,5-dimethyl-N-(5-methylpyrazin-2-yl)pyrazole-4-sulfonamide
CID 146141237
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 71688203
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203126
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823361
N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 126818385
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
CID 122286063
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide (CID 122302530) is 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide?
The InChIKey is FCDLSLHKICYBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-4-22-13(3)16(12(2)20-22)26(23,24)21-14-10-18-17(19-11-14)25-15-8-6-5-7-9-15/h5-11,21H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 122302530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).