5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole

C16H21N3O — CID 110256906

IUPAC5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCOc1ccc(CN2CCCC2c2[nH]ncc2C)cc1
InChIInChI=1S/C16H21N3O/c1-12-10-17-18-16(12)15-4-3-9-19(15)11-13-5-7-14(20-2)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyZMWZFGNHYHCYEA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.06
Rot. Bonds4

About 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole

5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole (PubChem CID 110256906) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
PubChem CID110256906
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCOc1ccc(CN2CCCC2c2[nH]ncc2C)cc1
InChIInChI=1S/C16H21N3O/c1-12-10-17-18-16(12)15-4-3-9-19(15)11-13-5-7-14(20-2)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyZMWZFGNHYHCYEA-UHFFFAOYSA-N
XLogP3.06
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole (CID 110256906) is 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole is COc1ccc(CN2CCCC2c2[nH]ncc2C)cc1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The InChIKey is ZMWZFGNHYHCYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-10-17-18-16(12)15-4-3-9-19(15)11-13-5-7-14(20-2)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,17,18).
What are the key properties of 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole?
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole has a molecular weight of 271.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole is sourced from PubChem (CID 110256906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).