2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole

C16H19ClN6O — CID 19554483

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole
SMILESCCn1cc(/C=C/c2nnc(CCn3nc(C)c(Cl)c3C)o2)cn1
InChIInChI=1S/C16H19ClN6O/c1-4-22-10-13(9-18-22)5-6-14-19-20-15(24-14)7-8-23-12(3)16(17)11(2)21-23/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyMITRQQMYCUKUQE-AATRIKPKSA-N
MW346.82 g/mol
LogP3.17
Rot. Bonds6

About 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole (PubChem CID 19554483) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole
PubChem CID19554483
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole
SMILESCCn1cc(/C=C/c2nnc(CCn3nc(C)c(Cl)c3C)o2)cn1
InChIInChI=1S/C16H19ClN6O/c1-4-22-10-13(9-18-22)5-6-14-19-20-15(24-14)7-8-23-12(3)16(17)11(2)21-23/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+
InChIKeyMITRQQMYCUKUQE-AATRIKPKSA-N
XLogP3.17
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole (CID 19554483) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole is CCn1cc(/C=C/c2nnc(CCn3nc(C)c(Cl)c3C)o2)cn1.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is MITRQQMYCUKUQE-AATRIKPKSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-4-22-10-13(9-18-22)5-6-14-19-20-15(24-14)7-8-23-12(3)16(17)11(2)21-23/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 346.82 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19554483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).