3-(4-chlorophenyl)-5-ethyl-1H-pyrazole

C11H11ClN2 — CID 123618516

IUPAC3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
SMILESCCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H11ClN2/c1-2-10-7-11(14-13-10)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyLOBLATVBUINQNI-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.29
Rot. Bonds2

About 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole

3-(4-chlorophenyl)-5-ethyl-1H-pyrazole (PubChem CID 123618516) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
PubChem CID123618516
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
SMILESCCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H11ClN2/c1-2-10-7-11(14-13-10)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyLOBLATVBUINQNI-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole (CID 123618516) is 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole is CCc1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole?
The InChIKey is LOBLATVBUINQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-2-10-7-11(14-13-10)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole?
3-(4-chlorophenyl)-5-ethyl-1H-pyrazole has a molecular weight of 206.68 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-ethyl-1H-pyrazole is sourced from PubChem (CID 123618516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).