1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one

C17H18N2O2 — CID 102041643

IUPAC1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one
SMILESCOc1cccc([C@@H](c2ccccc2)N2CCC(=O)N2)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-9-5-8-14(12-15)17(13-6-3-2-4-7-13)19-11-10-16(20)18-19/h2-9,12,17H,10-11H2,1H3,(H,18,20)/t17-/m1/s1
InChIKeyMWAFPANROCMAKA-QGZVFWFLSA-N
MW282.34 g/mol
LogP2.52
Rot. Bonds4

About 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one

1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one (PubChem CID 102041643) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one
PubChem CID102041643
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one
SMILESCOc1cccc([C@@H](c2ccccc2)N2CCC(=O)N2)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-9-5-8-14(12-15)17(13-6-3-2-4-7-13)19-11-10-16(20)18-19/h2-9,12,17H,10-11H2,1H3,(H,18,20)/t17-/m1/s1
InChIKeyMWAFPANROCMAKA-QGZVFWFLSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one?
The IUPAC name of 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one (CID 102041643) is 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one?
The canonical SMILES for 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one is COc1cccc([C@@H](c2ccccc2)N2CCC(=O)N2)c1.
What is the InChIKey of 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one?
The InChIKey is MWAFPANROCMAKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-9-5-8-14(12-15)17(13-6-3-2-4-7-13)19-11-10-16(20)18-19/h2-9,12,17H,10-11H2,1H3,(H,18,20)/t17-/m1/s1.
What are the key properties of 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one?
1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one has a molecular weight of 282.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one is sourced from PubChem (CID 102041643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).