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

C15H16N4O2 — CID 3273921

IUPAC5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1C(c1ccccc1)c1c(C)[nH][nH]c1=O
InChIInChI=1S/C15H16N4O2/c1-8-11(14(20)18-16-8)13(10-6-4-3-5-7-10)12-9(2)17-19-15(12)21/h3-7,13H,1-2H3,(H2,16,18,20)(H2,17,19,21)
InChIKeyQCAOQVRUERNYLD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.52
Rot. Bonds3

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

5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one (PubChem CID 3273921) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one
PubChem CID3273921
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1C(c1ccccc1)c1c(C)[nH][nH]c1=O
InChIInChI=1S/C15H16N4O2/c1-8-11(14(20)18-16-8)13(10-6-4-3-5-7-10)12-9(2)17-19-15(12)21/h3-7,13H,1-2H3,(H2,16,18,20)(H2,17,19,21)
InChIKeyQCAOQVRUERNYLD-UHFFFAOYSA-N
XLogP1.52
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one (CID 3273921) is 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1C(c1ccccc1)c1c(C)[nH][nH]c1=O.
What is the InChIKey of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one?
The InChIKey is QCAOQVRUERNYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8-11(14(20)18-16-8)13(10-6-4-3-5-7-10)12-9(2)17-19-15(12)21/h3-7,13H,1-2H3,(H2,16,18,20)(H2,17,19,21).
What are the key properties of 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one?
5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one has a molecular weight of 284.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 3273921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).