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

C10H14N4O2 — CID 98140955

IUPAC(4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1C(C)[C@H]1C(=O)NN=C1C
InChIInChI=1S/C10H14N4O2/c1-4(7-5(2)11-13-9(7)15)8-6(3)12-14-10(8)16/h4,7-8H,1-3H3,(H,13,15)(H,14,16)/t7-,8-/m1/s1
InChIKeyCDYNTKCUXCKQOV-HTQZYQBOSA-N
MW222.25 g/mol
LogP-0.13
Rot. Bonds2

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

(4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one (PubChem CID 98140955) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one
PubChem CID98140955
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)[C@@H]1C(C)[C@H]1C(=O)NN=C1C
InChIInChI=1S/C10H14N4O2/c1-4(7-5(2)11-13-9(7)15)8-6(3)12-14-10(8)16/h4,7-8H,1-3H3,(H,13,15)(H,14,16)/t7-,8-/m1/s1
InChIKeyCDYNTKCUXCKQOV-HTQZYQBOSA-N
XLogP-0.13
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one (CID 98140955) is (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one is CC1=NNC(=O)[C@@H]1C(C)[C@H]1C(=O)NN=C1C.
What is the InChIKey of (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one?
The InChIKey is CDYNTKCUXCKQOV-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4(7-5(2)11-13-9(7)15)8-6(3)12-14-10(8)16/h4,7-8H,1-3H3,(H,13,15)(H,14,16)/t7-,8-/m1/s1.
What are the key properties of (4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one?
(4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one has a molecular weight of 222.25 g/mol, XLogP of -0.13, 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-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 98140955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).