2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole

C12H17ClN4O — CID 10801890

IUPAC2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole
SMILESCCCCc1nnc(-c2c(Cl)c(CC)nn2C)o1
InChIInChI=1S/C12H17ClN4O/c1-4-6-7-9-14-15-12(18-9)11-10(13)8(5-2)16-17(11)3/h4-7H2,1-3H3
InChIKeyDIHABOHSKZUZMW-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.03
Rot. Bonds5

About 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole

2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole (PubChem CID 10801890) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole
PubChem CID10801890
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole
SMILESCCCCc1nnc(-c2c(Cl)c(CC)nn2C)o1
InChIInChI=1S/C12H17ClN4O/c1-4-6-7-9-14-15-12(18-9)11-10(13)8(5-2)16-17(11)3/h4-7H2,1-3H3
InChIKeyDIHABOHSKZUZMW-UHFFFAOYSA-N
XLogP3.03
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole (CID 10801890) is 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole is CCCCc1nnc(-c2c(Cl)c(CC)nn2C)o1.
What is the InChIKey of 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is DIHABOHSKZUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-4-6-7-9-14-15-12(18-9)11-10(13)8(5-2)16-17(11)3/h4-7H2,1-3H3.
What are the key properties of 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole?
2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 268.75 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 10801890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).