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

C9H12N4O2 — CID 98120874

IUPAC(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C1C
InChIInChI=1S/C9H12N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h6-7H,3H2,1-2H3,(H,12,14)(H,13,15)/t6-,7-/m1/s1
InChIKeyQMRQUTQGAUCBCM-RNFRBKRXSA-N
MW208.22 g/mol
LogP-0.38
Rot. Bonds2

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

(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one (PubChem CID 98120874) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one
PubChem CID98120874
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C1C
InChIInChI=1S/C9H12N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h6-7H,3H2,1-2H3,(H,12,14)(H,13,15)/t6-,7-/m1/s1
InChIKeyQMRQUTQGAUCBCM-RNFRBKRXSA-N
XLogP-0.38
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one (CID 98120874) is (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one is CC1=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C1C.
What is the InChIKey of (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one?
The InChIKey is QMRQUTQGAUCBCM-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h6-7H,3H2,1-2H3,(H,12,14)(H,13,15)/t6-,7-/m1/s1.
What are the key properties of (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one?
(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one has a molecular weight of 208.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 98120874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).