N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide

C20H28N4O5S — CID 46345046

IUPACN-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c1
InChIInChI=1S/C20H28N4O5S/c1-14-20(30(26,27)23-10-5-6-11-23)15(2)24(22-14)12-9-19(25)21-17-13-16(28-3)7-8-18(17)29-4/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,25)
InChIKeyWFRBHPUALYDTKC-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.33
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide (PubChem CID 46345046) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
PubChem CID46345046
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c1
InChIInChI=1S/C20H28N4O5S/c1-14-20(30(26,27)23-10-5-6-11-23)15(2)24(22-14)12-9-19(25)21-17-13-16(28-3)7-8-18(17)29-4/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,25)
InChIKeyWFRBHPUALYDTKC-UHFFFAOYSA-N
XLogP2.33
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794622
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 46345015
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345049
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45106996
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide (CID 46345046) is N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide is COc1ccc(OC)c(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The InChIKey is WFRBHPUALYDTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-14-20(30(26,27)23-10-5-6-11-23)15(2)24(22-14)12-9-19(25)21-17-13-16(28-3)7-8-18(17)29-4/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide has a molecular weight of 436.53 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46345046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).