4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole

C16H21N3O — CID 75402168

IUPAC4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCOc1ccc(C2CCCN2Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O/c1-18-11-13(10-17-18)12-19-9-3-4-16(19)14-5-7-15(20-2)8-6-14/h5-8,10-11,16H,3-4,9,12H2,1-2H3
InChIKeyINLHTZWBDWPFNT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.77
Rot. Bonds4

About 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole

4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole (PubChem CID 75402168) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
PubChem CID75402168
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCOc1ccc(C2CCCN2Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O/c1-18-11-13(10-17-18)12-19-9-3-4-16(19)14-5-7-15(20-2)8-6-14/h5-8,10-11,16H,3-4,9,12H2,1-2H3
InChIKeyINLHTZWBDWPFNT-UHFFFAOYSA-N
XLogP2.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole (CID 75402168) is 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole is COc1ccc(C2CCCN2Cc2cnn(C)c2)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
The InChIKey is INLHTZWBDWPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-11-13(10-17-18)12-19-9-3-4-16(19)14-5-7-15(20-2)8-6-14/h5-8,10-11,16H,3-4,9,12H2,1-2H3.
What are the key properties of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole has a molecular weight of 271.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 75402168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).