4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole

C18H24ClN3O — CID 11631366

IUPAC4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole
SMILESCN1CCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C18H24ClN3O/c1-21-10-3-4-17(21)9-11-23-18(15-12-20-22(2)13-15)14-5-7-16(19)8-6-14/h5-8,12-13,17-18H,3-4,9-11H2,1-2H3
InChIKeyLQNRLARYWLEPBT-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.66
Rot. Bonds6

About 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole

4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole (PubChem CID 11631366) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole
PubChem CID11631366
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole
SMILESCN1CCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C18H24ClN3O/c1-21-10-3-4-17(21)9-11-23-18(15-12-20-22(2)13-15)14-5-7-16(19)8-6-14/h5-8,12-13,17-18H,3-4,9-11H2,1-2H3
InChIKeyLQNRLARYWLEPBT-UHFFFAOYSA-N
XLogP3.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole?
The IUPAC name of 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole (CID 11631366) is 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole is CN1CCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1.
What is the InChIKey of 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole?
The InChIKey is LQNRLARYWLEPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-21-10-3-4-17(21)9-11-23-18(15-12-20-22(2)13-15)14-5-7-16(19)8-6-14/h5-8,12-13,17-18H,3-4,9-11H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole?
4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole has a molecular weight of 333.86 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-[2-(1-methylpyrrolidin-2-yl)ethoxy]methyl]-1-methylpyrazole is sourced from PubChem (CID 11631366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).