1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide

C20H17N5O2 — CID 87045572

IUPAC1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H17N5O2/c1-14-7-8-16(20-24-21-13-27-20)9-18(14)23-19(26)17-10-22-25(12-17)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,23,26)
InChIKeyAUAASRLDQRMKPT-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.54
Rot. Bonds5

About 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide

1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 87045572) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide
PubChem CID87045572
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H17N5O2/c1-14-7-8-16(20-24-21-13-27-20)9-18(14)23-19(26)17-10-22-25(12-17)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,23,26)
InChIKeyAUAASRLDQRMKPT-UHFFFAOYSA-N
XLogP3.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 55964102
3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55963336
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685977
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618296
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29370263

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide (CID 87045572) is 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is AUAASRLDQRMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-14-7-8-16(20-24-21-13-27-20)9-18(14)23-19(26)17-10-22-25(12-17)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide?
1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 87045572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).