3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole

C16H21ClN2O — CID 178142082

IUPAC3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole
SMILESCc1c(OC(C)c2ccccc2Cl)n[nH]c1CC(C)C
InChIInChI=1S/C16H21ClN2O/c1-10(2)9-15-11(3)16(19-18-15)20-12(4)13-7-5-6-8-14(13)17/h5-8,10,12H,9H2,1-4H3,(H,18,19)
InChIKeyVQAABWYNQXLBEN-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.71
Rot. Bonds5

About 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole

3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole (PubChem CID 178142082) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole
PubChem CID178142082
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole
SMILESCc1c(OC(C)c2ccccc2Cl)n[nH]c1CC(C)C
InChIInChI=1S/C16H21ClN2O/c1-10(2)9-15-11(3)16(19-18-15)20-12(4)13-7-5-6-8-14(13)17/h5-8,10,12H,9H2,1-4H3,(H,18,19)
InChIKeyVQAABWYNQXLBEN-UHFFFAOYSA-N
XLogP4.71
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole?
The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole (CID 178142082) is 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole is Cc1c(OC(C)c2ccccc2Cl)n[nH]c1CC(C)C.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole?
The InChIKey is VQAABWYNQXLBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10(2)9-15-11(3)16(19-18-15)20-12(4)13-7-5-6-8-14(13)17/h5-8,10,12H,9H2,1-4H3,(H,18,19).
What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole?
3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole has a molecular weight of 292.81 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethoxy]-4-methyl-5-(2-methylpropyl)-1H-pyrazole is sourced from PubChem (CID 178142082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).