(4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one

C15H15ClN4O2 — CID 1204703

IUPAC(4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1C(c1ccccc1Cl)[C@H]1C(=O)NN=C1C
InChIInChI=1S/C15H15ClN4O2/c1-7-11(14(21)19-17-7)13(9-5-3-4-6-10(9)16)12-8(2)18-20-15(12)22/h3-6,11-13H,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1
InChIKeyHJKZSTIQINGLLG-RYUDHWBXSA-N
MW318.76 g/mol
LogP1.67
Rot. Bonds3

About (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one

(4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 1204703) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID1204703
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name(4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1C(c1ccccc1Cl)[C@H]1C(=O)NN=C1C
InChIInChI=1S/C15H15ClN4O2/c1-7-11(14(21)19-17-7)13(9-5-3-4-6-10(9)16)12-8(2)18-20-15(12)22/h3-6,11-13H,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1
InChIKeyHJKZSTIQINGLLG-RYUDHWBXSA-N
XLogP1.67
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(R)-(2-chlorophenyl)-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]propanedinitrile
CID 98158234
(4R)-3-methyl-4-[[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]-phenylmethyl]-1,4-dihydropyrazol-5-one
CID 1163255
4-[(4-hydroxyphenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 12699072
2-[(R)-(2,4-dichlorophenyl)-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]propanedinitrile
CID 98614149
2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-phenylmethyl]propanedinitrile
CID 2840303
(4S)-4-[(2-chlorophenyl)-[(4S)-1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 27042948
5-[(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10573591
2-[(S)-(2-chlorophenyl)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile
CID 1239144
1-(2-chlorophenyl)ethylazanium chloride
CID 160644474
3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
CID 43108405
4-[bromo-(2-chlorophenyl)methyl]-3-methyloxazin-6-one
CID 10734069
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 136525993

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one (CID 1204703) is (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)[C@@H]1C(c1ccccc1Cl)[C@H]1C(=O)NN=C1C.
What is the InChIKey of (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is HJKZSTIQINGLLG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-7-11(14(21)19-17-7)13(9-5-3-4-6-10(9)16)12-8(2)18-20-15(12)22/h3-6,11-13H,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1.
What are the key properties of (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one?
(4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 318.76 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 1204703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).