(4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one

C11H11ClN2O — CID 98060076

IUPAC(4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-7-10(11(15)14-13-7)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyQDLNBBAGLOOKPI-SNVBAGLBSA-N
MW222.68 g/mol
LogP2.00
Rot. Bonds2

About (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one

(4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 98060076) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID98060076
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-7-10(11(15)14-13-7)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyQDLNBBAGLOOKPI-SNVBAGLBSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 98044998
(4S)-3-methyl-4-[(4-methylphenyl)methyl]-1,4-dihydropyrazol-5-one
CID 98044997
(4R)-4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 98106783
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
CID 90760388
3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 167908410
(3R,6S)-6-[(3-chlorophenyl)methyl]-5-oxothiomorpholine-3-carboxylic acid
CID 95002052
6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one
CID 141158846
2-[(3-chlorophenyl)methyl]-4,5-dimethyl-4H-pyrazol-3-one
CID 63278573
3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 83823135
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (CID 98060076) is (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)[C@@H]1Cc1cccc(Cl)c1.
What is the InChIKey of (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is QDLNBBAGLOOKPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-10(11(15)14-13-7)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
(4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 222.68 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 98060076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).