N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide

C21H30N4O3S — CID 50794579

IUPACN-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c(C)c1
InChIInChI=1S/C21H30N4O3S/c1-15-8-9-19(16(2)14-15)22-20(26)10-13-25-18(4)21(17(3)23-25)29(27,28)24-11-6-5-7-12-24/h8-9,14H,5-7,10-13H2,1-4H3,(H,22,26)
InChIKeyFVEFIFWRSJOTCT-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.32
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide

N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide (PubChem CID 50794579) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
PubChem CID50794579
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC NameN-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c(C)c1
InChIInChI=1S/C21H30N4O3S/c1-15-8-9-19(16(2)14-15)22-20(26)10-13-25-18(4)21(17(3)23-25)29(27,28)24-11-6-5-7-12-24/h8-9,14H,5-7,10-13H2,1-4H3,(H,22,26)
InChIKeyFVEFIFWRSJOTCT-UHFFFAOYSA-N
XLogP3.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794622
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345049
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
N-(2,4-dimethylphenyl)-4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]benzamide
CID 53139440
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345046
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45106996
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 46345015
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 46345139
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345113
N-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345111
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-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide (CID 50794579) is N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide is Cc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The InChIKey is FVEFIFWRSJOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-15-8-9-19(16(2)14-15)22-20(26)10-13-25-18(4)21(17(3)23-25)29(27,28)24-11-6-5-7-12-24/h8-9,14H,5-7,10-13H2,1-4H3,(H,22,26).
What are the key properties of N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide is sourced from PubChem (CID 50794579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).