N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide

C17H19N5O2 — CID 124574173

IUPACN'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide
SMILESCc1ccccc1-n1nccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N
InChIInChI=1S/C17H19N5O2/c1-12-6-4-5-7-14(12)22-15(9-11-19-22)20-16(23)17(24)21(3)13(2)8-10-18/h4-7,9,11,13H,8H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyJGQZMCYNBSTWGR-ZDUSSCGKSA-N
MW325.37 g/mol
LogP1.88
Rot. Bonds4

About N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide

N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide (PubChem CID 124574173) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide
PubChem CID124574173
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide
SMILESCc1ccccc1-n1nccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N
InChIInChI=1S/C17H19N5O2/c1-12-6-4-5-7-14(12)22-15(9-11-19-22)20-16(23)17(24)21(3)13(2)8-10-18/h4-7,9,11,13H,8H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyJGQZMCYNBSTWGR-ZDUSSCGKSA-N
XLogP1.88
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
CID 84598091
(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide
CID 100725773
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95980051
N-(3-bromophenyl)-N'-[(2S)-1-cyanopropan-2-yl]-N'-methyloxamide
CID 129381790
N'-(1-cyanopropan-2-yl)-N'-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 119044033
N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide
CID 129381802
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340
2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 75467532
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide
CID 99632176

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide?
The IUPAC name of N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide (CID 124574173) is N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide?
The canonical SMILES for N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide is Cc1ccccc1-n1nccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N.
What is the InChIKey of N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide?
The InChIKey is JGQZMCYNBSTWGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-6-4-5-7-14(12)22-15(9-11-19-22)20-16(23)17(24)21(3)13(2)8-10-18/h4-7,9,11,13H,8H2,1-3H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide?
N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide has a molecular weight of 325.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 124574173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).