2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole

C19H17ClF3N7O — CID 4774036

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(-c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)o2)c(C)c1Cl
InChIInChI=1S/C19H17ClF3N7O/c1-9-17(20)10(2)29(27-9)6-5-16-25-26-18(31-16)13-8-15-24-12(11-3-4-11)7-14(19(21,22)23)30(15)28-13/h7-8,11H,3-6H2,1-2H3
InChIKeyCEMVAXRAUISPHK-UHFFFAOYSA-N
MW451.84 g/mol
LogP4.38
Rot. Bonds5

About 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (PubChem CID 4774036) has the molecular formula C19H17ClF3N7O and a molecular weight of 451.84 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
PubChem CID4774036
Molecular FormulaC19H17ClF3N7O
Molecular Weight451.84 g/mol
Exact Mass451.11
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(-c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)o2)c(C)c1Cl
InChIInChI=1S/C19H17ClF3N7O/c1-9-17(20)10(2)29(27-9)6-5-16-25-26-18(31-16)13-8-15-24-12(11-3-4-11)7-14(19(21,22)23)30(15)28-13/h7-8,11H,3-6H2,1-2H3
InChIKeyCEMVAXRAUISPHK-UHFFFAOYSA-N
XLogP4.38
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.84
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (CID 4774036) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is Cc1nn(CCc2nnc(-c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)o2)c(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is CEMVAXRAUISPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N7O/c1-9-17(20)10(2)29(27-9)6-5-16-25-26-18(31-16)13-8-15-24-12(11-3-4-11)7-14(19(21,22)23)30(15)28-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 451.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 4774036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).