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

C20H20ClN9O — CID 19552852

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(-c3cc4nccc(-c5cnn(C)c5C)n4n3)o2)c(C)c1Cl
InChIInChI=1S/C20H20ClN9O/c1-11-19(21)13(3)29(26-11)8-6-18-24-25-20(31-18)15-9-17-22-7-5-16(30(17)27-15)14-10-23-28(4)12(14)2/h5,7,9-10H,6,8H2,1-4H3
InChIKeyKSJZSYJYFGZVPI-UHFFFAOYSA-N
MW437.90 g/mol
LogP3.20
Rot. Bonds5

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

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (PubChem CID 19552852) has the molecular formula C20H20ClN9O and a molecular weight of 437.90 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)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-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
PubChem CID19552852
Molecular FormulaC20H20ClN9O
Molecular Weight437.90 g/mol
Exact Mass437.15
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(-c3cc4nccc(-c5cnn(C)c5C)n4n3)o2)c(C)c1Cl
InChIInChI=1S/C20H20ClN9O/c1-11-19(21)13(3)29(26-11)8-6-18-24-25-20(31-18)15-9-17-22-7-5-16(30(17)27-15)14-10-23-28(4)12(14)2/h5,7,9-10H,6,8H2,1-4H3
InChIKeyKSJZSYJYFGZVPI-UHFFFAOYSA-N
XLogP3.20
TPSA104.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)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-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (CID 19552852) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)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-[7-(1,5-dimethylpyrazol-4-yl)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-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is Cc1nn(CCc2nnc(-c3cc4nccc(-c5cnn(C)c5C)n4n3)o2)c(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is KSJZSYJYFGZVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN9O/c1-11-19(21)13(3)29(26-11)8-6-18-24-25-20(31-18)15-9-17-22-7-5-16(30(17)27-15)14-10-23-28(4)12(14)2/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 437.90 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).