N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C22H21N5O3S — CID 2998183

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1c(NC(=O)C(C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H21N5O3S/c1-14-18(21(29)27(26(14)3)17-12-8-5-9-13-17)23-19(28)15(2)31-22-25-24-20(30-22)16-10-6-4-7-11-16/h4-13,15H,1-3H3,(H,23,28)
InChIKeyGKDIAVPMGISXAJ-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.65
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 2998183) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID2998183
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1c(NC(=O)C(C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H21N5O3S/c1-14-18(21(29)27(26(14)3)17-12-8-5-9-13-17)23-19(28)15(2)31-22-25-24-20(30-22)16-10-6-4-7-11-16/h4-13,15H,1-3H3,(H,23,28)
InChIKeyGKDIAVPMGISXAJ-UHFFFAOYSA-N
XLogP3.65
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 2998183) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is Cc1c(NC(=O)C(C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is GKDIAVPMGISXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-14-18(21(29)27(26(14)3)17-12-8-5-9-13-17)23-19(28)15(2)31-22-25-24-20(30-22)16-10-6-4-7-11-16/h4-13,15H,1-3H3,(H,23,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 435.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 2998183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).