5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole

C8H11ClN6 — CID 90028324

IUPAC5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(CC)c2Cl)n1
InChIInChI=1S/C8H11ClN6/c1-3-14-7(9)6(5-10-14)8-11-13-15(4-2)12-8/h5H,3-4H2,1-2H3
InChIKeyIUGKKLMZMTWJJC-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.23
Rot. Bonds3

About 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole

5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole (PubChem CID 90028324) has the molecular formula C8H11ClN6 and a molecular weight of 226.67 g/mol. Its IUPAC name is 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole.

Molecular Properties

Compound Name5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole
PubChem CID90028324
Molecular FormulaC8H11ClN6
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(CC)c2Cl)n1
InChIInChI=1S/C8H11ClN6/c1-3-14-7(9)6(5-10-14)8-11-13-15(4-2)12-8/h5H,3-4H2,1-2H3
InChIKeyIUGKKLMZMTWJJC-UHFFFAOYSA-N
XLogP1.23
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole?
The IUPAC name of 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole (CID 90028324) is 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole.
What is the SMILES notation for 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole?
The canonical SMILES for 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole is CCn1nnc(-c2cnn(CC)c2Cl)n1.
What is the InChIKey of 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole?
The InChIKey is IUGKKLMZMTWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6/c1-3-14-7(9)6(5-10-14)8-11-13-15(4-2)12-8/h5H,3-4H2,1-2H3.
What are the key properties of 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole?
5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole has a molecular weight of 226.67 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-ethylpyrazol-4-yl)-2-ethyltetrazole is sourced from PubChem (CID 90028324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).