N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide

C14H17N3O5S — CID 18629743

IUPACN-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)c2cc(C)n(C)n2)c1
InChIInChI=1S/C14H17N3O5S/c1-9-7-11(15-17(9)2)14(18)16-23(19,20)13-8-10(21-3)5-6-12(13)22-4/h5-8H,1-4H3,(H,16,18)
InChIKeyHMAZJTPKLYHRBT-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.86
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide

N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 18629743) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID18629743
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)c2cc(C)n(C)n2)c1
InChIInChI=1S/C14H17N3O5S/c1-9-7-11(15-17(9)2)14(18)16-23(19,20)13-8-10(21-3)5-6-12(13)22-4/h5-8H,1-4H3,(H,16,18)
InChIKeyHMAZJTPKLYHRBT-UHFFFAOYSA-N
XLogP0.86
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 47347665
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 12875194
N-(2,5-dimethoxyphenyl)sulfonyl-2-ethyl-1,3-thiazole-5-carboxamide
CID 48569535
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952159
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 139453023
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19329060
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110900448
N-(2,5-dimethoxyphenyl)sulfonyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71892345

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide (CID 18629743) is N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide is COc1ccc(OC)c(S(=O)(=O)NC(=O)c2cc(C)n(C)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HMAZJTPKLYHRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-9-7-11(15-17(9)2)14(18)16-23(19,20)13-8-10(21-3)5-6-12(13)22-4/h5-8H,1-4H3,(H,16,18).
What are the key properties of N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide?
N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 18629743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).