1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole

C21H23N3O — CID 67014219

IUPAC1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole
SMILESCN1CCC(n2cc(-c3ccccc3)c(OCc3ccccc3)n2)C1
InChIInChI=1S/C21H23N3O/c1-23-13-12-19(14-23)24-15-20(18-10-6-3-7-11-18)21(22-24)25-16-17-8-4-2-5-9-17/h2-11,15,19H,12-14,16H2,1H3
InChIKeyLYFUXRYMQKFUMW-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.01
Rot. Bonds5

About 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole

1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole (PubChem CID 67014219) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole
PubChem CID67014219
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole
SMILESCN1CCC(n2cc(-c3ccccc3)c(OCc3ccccc3)n2)C1
InChIInChI=1S/C21H23N3O/c1-23-13-12-19(14-23)24-15-20(18-10-6-3-7-11-18)21(22-24)25-16-17-8-4-2-5-9-17/h2-11,15,19H,12-14,16H2,1H3
InChIKeyLYFUXRYMQKFUMW-UHFFFAOYSA-N
XLogP4.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole (CID 67014219) is 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole is CN1CCC(n2cc(-c3ccccc3)c(OCc3ccccc3)n2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole?
The InChIKey is LYFUXRYMQKFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23-13-12-19(14-23)24-15-20(18-10-6-3-7-11-18)21(22-24)25-16-17-8-4-2-5-9-17/h2-11,15,19H,12-14,16H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole?
1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole has a molecular weight of 333.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole is sourced from PubChem (CID 67014219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).