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

C11H11ClN2O — CID 98044998

IUPAC(4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-10(11(15)14-13-7)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyQMPVZTYWNUFOKQ-SNVBAGLBSA-N
MW222.68 g/mol
LogP2.00
Rot. Bonds2

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

(4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 98044998) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID98044998
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-10(11(15)14-13-7)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyQMPVZTYWNUFOKQ-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (CID 98044998) is (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)[C@@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is QMPVZTYWNUFOKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-10(11(15)14-13-7)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
(4R)-4-[(4-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-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 98044998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).