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

C16H15ClN2O — CID 102041642

IUPAC1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one
SMILESO=C1CCN([C@H](c2ccccc2)c2cccc(Cl)c2)N1
InChIInChI=1S/C16H15ClN2O/c17-14-8-4-7-13(11-14)16(12-5-2-1-3-6-12)19-10-9-15(20)18-19/h1-8,11,16H,9-10H2,(H,18,20)/t16-/m1/s1
InChIKeyDPBOTCAZETUROY-MRXNPFEDSA-N
MW286.76 g/mol
LogP3.17
Rot. Bonds3

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

1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one (PubChem CID 102041642) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one
PubChem CID102041642
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one
SMILESO=C1CCN([C@H](c2ccccc2)c2cccc(Cl)c2)N1
InChIInChI=1S/C16H15ClN2O/c17-14-8-4-7-13(11-14)16(12-5-2-1-3-6-12)19-10-9-15(20)18-19/h1-8,11,16H,9-10H2,(H,18,20)/t16-/m1/s1
InChIKeyDPBOTCAZETUROY-MRXNPFEDSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(3-methoxyphenyl)-phenylmethyl]pyrazolidin-3-one
CID 102041643
5-benzhydryl-1,2,5-triazepane-3,7-dione
CID 22769787
1-[(3-chlorophenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3829385
1-[bis(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4650052
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
CID 3810529
1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one
CID 91805545
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927
2-[2-[4-[(R)-(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
CID 76968869
1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one
CID 68987437
3-(3-chlorophenyl)-3-phenylpropanal
CID 19076021
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 174339665

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one?
The IUPAC name of 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one (CID 102041642) is 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one?
The canonical SMILES for 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one is O=C1CCN([C@H](c2ccccc2)c2cccc(Cl)c2)N1.
What is the InChIKey of 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one?
The InChIKey is DPBOTCAZETUROY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-8-4-7-13(11-14)16(12-5-2-1-3-6-12)19-10-9-15(20)18-19/h1-8,11,16H,9-10H2,(H,18,20)/t16-/m1/s1.
What are the key properties of 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one?
1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one has a molecular weight of 286.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-chlorophenyl)-phenylmethyl]pyrazolidin-3-one is sourced from PubChem (CID 102041642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).