N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide

C21H19N5O2 — CID 52903062

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1noc(CCNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-15-23-20(28-25-15)12-13-22-21(27)19-14-18(16-8-4-2-5-9-16)24-26(19)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)
InChIKeyYBAZFTOCLUDSMJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 52903062) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID52903062
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1noc(CCNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-15-23-20(28-25-15)12-13-22-21(27)19-14-18(16-8-4-2-5-9-16)24-26(19)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)
InChIKeyYBAZFTOCLUDSMJ-UHFFFAOYSA-N
XLogP3.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 106413314
1-(3-chlorophenyl)-N-(3-methoxypropyl)-3-phenylpyrazole-5-carboxamide
CID 4561302
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 5178195
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide (CID 52903062) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide is Cc1noc(CCNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is YBAZFTOCLUDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-15-23-20(28-25-15)12-13-22-21(27)19-14-18(16-8-4-2-5-9-16)24-26(19)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 52903062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).