3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole

C22H14ClF2N5O2 — CID 19332759

IUPAC3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)n1
InChIInChI=1S/C22H14ClF2N5O2/c1-31-18-8-7-13(23)9-14(18)20-28-22(32-29-20)15-11-26-30-17(19(24)25)10-16(27-21(15)30)12-5-3-2-4-6-12/h2-11,19H,1H3
InChIKeyGWRPVZVWEBMLIR-UHFFFAOYSA-N
MW453.84 g/mol
LogP5.71
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole

3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole (PubChem CID 19332759) has the molecular formula C22H14ClF2N5O2 and a molecular weight of 453.84 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
PubChem CID19332759
Molecular FormulaC22H14ClF2N5O2
Molecular Weight453.84 g/mol
Exact Mass453.08
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)n1
InChIInChI=1S/C22H14ClF2N5O2/c1-31-18-8-7-13(23)9-14(18)20-28-22(32-29-20)15-11-26-30-17(19(24)25)10-16(27-21(15)30)12-5-3-2-4-6-12/h2-11,19H,1H3
InChIKeyGWRPVZVWEBMLIR-UHFFFAOYSA-N
XLogP5.71
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.84
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334586
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 936656
7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020407
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
N-(5-tert-butyl-2-methoxyphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4523516
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19297007
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole (CID 19332759) is 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1noc(-c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is GWRPVZVWEBMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2N5O2/c1-31-18-8-7-13(23)9-14(18)20-28-22(32-29-20)15-11-26-30-17(19(24)25)10-16(27-21(15)30)12-5-3-2-4-6-12/h2-11,19H,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 453.84 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19332759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).