N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

C20H17N5O2 — CID 8903086

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C)o2)c1
InChIInChI=1S/C20H17N5O2/c1-13-7-6-8-15(11-13)18-17(19(26)21-20-23-22-14(2)27-20)12-25(24-18)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,21,23,26)
InChIKeyITAJWUCFFUPLEA-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.79
Rot. Bonds4

About N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 8903086) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID8903086
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C)o2)c1
InChIInChI=1S/C20H17N5O2/c1-13-7-6-8-15(11-13)18-17(19(26)21-20-23-22-14(2)27-20)12-25(24-18)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,21,23,26)
InChIKeyITAJWUCFFUPLEA-UHFFFAOYSA-N
XLogP3.79
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 8903086) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C)o2)c1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ITAJWUCFFUPLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-7-6-8-15(11-13)18-17(19(26)21-20-23-22-14(2)27-20)12-25(24-18)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,21,23,26).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 8903086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).