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

C20H28N4O3S — CID 46345049

IUPACN-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1C
InChIInChI=1S/C20H28N4O3S/c1-14-7-8-18(13-15(14)2)21-19(25)9-12-24-17(4)20(16(3)22-24)28(26,27)23-10-5-6-11-23/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,25)
InChIKeyHRIJZYGKOOQOMU-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.93
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide (PubChem CID 46345049) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
PubChem CID46345049
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1C
InChIInChI=1S/C20H28N4O3S/c1-14-7-8-18(13-15(14)2)21-19(25)9-12-24-17(4)20(16(3)22-24)28(26,27)23-10-5-6-11-23/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,25)
InChIKeyHRIJZYGKOOQOMU-UHFFFAOYSA-N
XLogP2.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345046
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794622
N-(3-chloro-4-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794676
N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345192
N-(3-acetylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345123
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45106996
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 46345116
N-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345111

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide (CID 46345049) is N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide is Cc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The InChIKey is HRIJZYGKOOQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-14-7-8-18(13-15(14)2)21-19(25)9-12-24-17(4)20(16(3)22-24)28(26,27)23-10-5-6-11-23/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,25).
What are the key properties of N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide?
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide has a molecular weight of 404.54 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46345049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).