2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole

C24H22N6O — CID 2740693

IUPAC2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nnc(-c2c(C)nn(-c3ccccc3)c2C)o1
InChIInChI=1S/C24H22N6O/c1-15-21(17(3)29(27-15)19-11-7-5-8-12-19)23-25-26-24(31-23)22-16(2)28-30(18(22)4)20-13-9-6-10-14-20/h5-14H,1-4H3
InChIKeyWOASUTLIZIBWDW-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.01
Rot. Bonds4

About 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole

2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole (PubChem CID 2740693) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
PubChem CID2740693
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nnc(-c2c(C)nn(-c3ccccc3)c2C)o1
InChIInChI=1S/C24H22N6O/c1-15-21(17(3)29(27-15)19-11-7-5-8-12-19)23-25-26-24(31-23)22-16(2)28-30(18(22)4)20-13-9-6-10-14-20/h5-14H,1-4H3
InChIKeyWOASUTLIZIBWDW-UHFFFAOYSA-N
XLogP5.01
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239
[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888657
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 141063590
3-chloro-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)aniline
CID 107616169
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
CID 82106387
2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 139217553

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole (CID 2740693) is 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole is Cc1nn(-c2ccccc2)c(C)c1-c1nnc(-c2c(C)nn(-c3ccccc3)c2C)o1.
What is the InChIKey of 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is WOASUTLIZIBWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-15-21(17(3)29(27-15)19-11-7-5-8-12-19)23-25-26-24(31-23)22-16(2)28-30(18(22)4)20-13-9-6-10-14-20/h5-14H,1-4H3.
What are the key properties of 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole?
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 410.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 2740693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).