N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide

C20H19N3O2 — CID 51101144

IUPACN-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCN(C(=O)C(=O)c1cnn(C)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-22-14-17(13-21-22)19(24)20(25)23(2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,1-2H3
InChIKeyONRNUFGCBVFRCY-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.85
Rot. Bonds5

About N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide

N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 51101144) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
PubChem CID51101144
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCN(C(=O)C(=O)c1cnn(C)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-22-14-17(13-21-22)19(24)20(25)23(2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,1-2H3
InChIKeyONRNUFGCBVFRCY-UHFFFAOYSA-N
XLogP2.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
(4-benzhydrylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041253
2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 79190260
[2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid
CID 175511362
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
1-methylpyrazole-4-carboxylate
CID 6979031
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide (CID 51101144) is N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide is CN(C(=O)C(=O)c1cnn(C)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is ONRNUFGCBVFRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-22-14-17(13-21-22)19(24)20(25)23(2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,1-2H3.
What are the key properties of N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 333.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 51101144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).