N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide

C21H18N4O2 — CID 167951973

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O2/c1-24(15-17-12-13-27-23-17)21(26)19-14-20(16-8-4-2-5-9-16)25(22-19)18-10-6-3-7-11-18/h2-14H,15H2,1H3
InChIKeyMDMDFLCSVWIRNM-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.80
Rot. Bonds5

About N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide

N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide (PubChem CID 167951973) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide
PubChem CID167951973
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O2/c1-24(15-17-12-13-27-23-17)21(26)19-14-20(16-8-4-2-5-9-16)25(22-19)18-10-6-3-7-11-18/h2-14H,15H2,1H3
InChIKeyMDMDFLCSVWIRNM-UHFFFAOYSA-N
XLogP3.80
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide
CID 167942618
N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 58166119
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24793819
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenyl-N-propylpyrazole-3-carboxamide
CID 176910261
N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 71985750
N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1097403
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403
N-(1-benzoylpiperidin-4-yl)-N-[2-(methylamino)-2-oxoethyl]-1,5-diphenylpyrazole-3-carboxamide;ethane
CID 170716231

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide (CID 167951973) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide is CN(Cc1ccon1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide?
The InChIKey is MDMDFLCSVWIRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-24(15-17-12-13-27-23-17)21(26)19-14-20(16-8-4-2-5-9-16)25(22-19)18-10-6-3-7-11-18/h2-14H,15H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 167951973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).