(4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one

C10H8Cl2N2O2 — CID 697883

IUPAC(4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2/c1-5-9(10(15)14-13-5)16-8-3-2-6(11)4-7(8)12/h2-4,9H,1H3,(H,14,15)/t9-/m1/s1
InChIKeyAEFIPCCALRQVBQ-SECBINFHSA-N
MW259.09 g/mol
LogP2.25
Rot. Bonds2

About (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one

(4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 697883) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID697883
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name(4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2/c1-5-9(10(15)14-13-5)16-8-3-2-6(11)4-7(8)12/h2-4,9H,1H3,(H,14,15)/t9-/m1/s1
InChIKeyAEFIPCCALRQVBQ-SECBINFHSA-N
XLogP2.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dichlorophenoxy)-1,3-thiazolidine-2,4-dione
CID 134090754
2-[(R)-(2,4-dichlorophenyl)-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]propanedinitrile
CID 98614149
3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one
CID 131870768
3-(2,4-dichlorophenoxy)cyclobutan-1-amine
CID 66359762
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 154629417
4-(2,4-dichlorophenoxy)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549322
N-(2,4-dichlorophenoxy)methanamine
CID 174617180
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
(2,4-dichlorophenyl) 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate
CID 4861680
methyl (2S)-4-(2,4-dichlorophenoxy)pyrrolidine-2-carboxylate
CID 45075591
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one (CID 697883) is (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)[C@@H]1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is AEFIPCCALRQVBQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c1-5-9(10(15)14-13-5)16-8-3-2-6(11)4-7(8)12/h2-4,9H,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one?
(4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 259.09 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dichlorophenoxy)-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 697883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).