5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole

C20H23N3O — CID 11594918

IUPAC5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
SMILESCc1cc(OCCN2CCCC2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O/c1-16-14-20(24-13-12-22-10-4-5-11-22)21-23(16)19-9-8-17-6-2-3-7-18(17)15-19/h2-3,6-9,14-15H,4-5,10-13H2,1H3
InChIKeyFKYVVHMDNYMWPI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.81
Rot. Bonds5

About 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole

5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole (PubChem CID 11594918) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole.

Molecular Properties

Compound Name5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
PubChem CID11594918
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
SMILESCc1cc(OCCN2CCCC2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O/c1-16-14-20(24-13-12-22-10-4-5-11-22)21-23(16)19-9-8-17-6-2-3-7-18(17)15-19/h2-3,6-9,14-15H,4-5,10-13H2,1H3
InChIKeyFKYVVHMDNYMWPI-UHFFFAOYSA-N
XLogP3.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The IUPAC name of 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole (CID 11594918) is 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole.
What is the SMILES notation for 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The canonical SMILES for 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole is Cc1cc(OCCN2CCCC2)nn1-c1ccc2ccccc2c1.
What is the InChIKey of 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The InChIKey is FKYVVHMDNYMWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16-14-20(24-13-12-22-10-4-5-11-22)21-23(16)19-9-8-17-6-2-3-7-18(17)15-19/h2-3,6-9,14-15H,4-5,10-13H2,1H3.
What are the key properties of 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole has a molecular weight of 321.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-naphthalen-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole is sourced from PubChem (CID 11594918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).