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

C20H16ClN5O2 — CID 4782274

IUPAC1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16ClN5O2/c1-13-16(17(21)26(25-13)12-14-8-4-2-5-9-14)18(27)22-20-24-23-19(28-20)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,22,24,27)
InChIKeyUJNIAIVAYWFNOW-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.20
Rot. Bonds5

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

1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 4782274) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID4782274
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16ClN5O2/c1-13-16(17(21)26(25-13)12-14-8-4-2-5-9-14)18(27)22-20-24-23-19(28-20)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,22,24,27)
InChIKeyUJNIAIVAYWFNOW-UHFFFAOYSA-N
XLogP4.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (CID 4782274) is 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is UJNIAIVAYWFNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-13-16(17(21)26(25-13)12-14-8-4-2-5-9-14)18(27)22-20-24-23-19(28-20)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,22,24,27).
What are the key properties of 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 4782274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).