4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole

C18H25N3O — CID 56781119

IUPAC4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
SMILESCOc1cccc(CN2CCCC2c2c(C)nn(C)c2C)c1
InChIInChI=1S/C18H25N3O/c1-13-18(14(2)20(3)19-13)17-9-6-10-21(17)12-15-7-5-8-16(11-15)22-4/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyFIAAUUXCBAIBIJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.38
Rot. Bonds4

About 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole

4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole (PubChem CID 56781119) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
PubChem CID56781119
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
SMILESCOc1cccc(CN2CCCC2c2c(C)nn(C)c2C)c1
InChIInChI=1S/C18H25N3O/c1-13-18(14(2)20(3)19-13)17-9-6-10-21(17)12-15-7-5-8-16(11-15)22-4/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyFIAAUUXCBAIBIJ-UHFFFAOYSA-N
XLogP3.38
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole (CID 56781119) is 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole is COc1cccc(CN2CCCC2c2c(C)nn(C)c2C)c1.
What is the InChIKey of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
The InChIKey is FIAAUUXCBAIBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-18(14(2)20(3)19-13)17-9-6-10-21(17)12-15-7-5-8-16(11-15)22-4/h5,7-8,11,17H,6,9-10,12H2,1-4H3.
What are the key properties of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole?
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole has a molecular weight of 299.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 56781119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).