5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one

C8H10N4O — CID 2818113

IUPAC5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one
SMILESCc1cc(-c2c(C)[nH][nH]c2=O)n[nH]1
InChIInChI=1S/C8H10N4O/c1-4-3-6(11-9-4)7-5(2)10-12-8(7)13/h3H,1-2H3,(H,9,11)(H2,10,12,13)
InChIKeyWTXYDALOFMVSRV-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.71
Rot. Bonds1

About 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one

5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one (PubChem CID 2818113) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one
PubChem CID2818113
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one
SMILESCc1cc(-c2c(C)[nH][nH]c2=O)n[nH]1
InChIInChI=1S/C8H10N4O/c1-4-3-6(11-9-4)7-5(2)10-12-8(7)13/h3H,1-2H3,(H,9,11)(H2,10,12,13)
InChIKeyWTXYDALOFMVSRV-UHFFFAOYSA-N
XLogP0.71
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one (CID 2818113) is 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one is Cc1cc(-c2c(C)[nH][nH]c2=O)n[nH]1.
What is the InChIKey of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one?
The InChIKey is WTXYDALOFMVSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-3-6(11-9-4)7-5(2)10-12-8(7)13/h3H,1-2H3,(H,9,11)(H2,10,12,13).
What are the key properties of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one?
5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 2818113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).