N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C20H23N3O3S — CID 71906254

IUPACN-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)CC1c1cccc(C)c1
InChIInChI=1S/C20H23N3O3S/c1-4-20(24)23-19(15-9-7-8-14(2)12-15)13-18(21-23)16-10-5-6-11-17(16)22-27(3,25)26/h5-12,19,22H,4,13H2,1-3H3
InChIKeyVJBFFIRCXNPDGS-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.45
Rot. Bonds5

About N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 71906254) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID71906254
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)CC1c1cccc(C)c1
InChIInChI=1S/C20H23N3O3S/c1-4-20(24)23-19(15-9-7-8-14(2)12-15)13-18(21-23)16-10-5-6-11-17(16)22-27(3,25)26/h5-12,19,22H,4,13H2,1-3H3
InChIKeyVJBFFIRCXNPDGS-UHFFFAOYSA-N
XLogP3.45
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-propanoyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
CID 42649622
N-[2-[3-(3-methylphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71946477
N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71848033
N-[2-[(3R)-3-(3-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 97072213
4-[(3R)-5-[2-(methanesulfonamido)phenyl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 51456948
N-[2-[(3S)-2-acetyl-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 97072188
N-[2-[(3R)-5-(2-chlorophenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 124842816
1-[(3S)-5-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 136718601
N-[2-[5-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 119053236
N-[2-[3-(3-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 75454338
N-[2-[(3R)-3-(3-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 97352495
N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 99796366

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 71906254) is N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)CC1c1cccc(C)c1.
What is the InChIKey of N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is VJBFFIRCXNPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-20(24)23-19(15-9-7-8-14(2)12-15)13-18(21-23)16-10-5-6-11-17(16)22-27(3,25)26/h5-12,19,22H,4,13H2,1-3H3.
What are the key properties of N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 71906254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).