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

C7H10N4O — CID 10535056

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2=NCCN2)[nH]1
InChIInChI=1S/C7H10N4O/c1-5-4-6(12)11(10-5)7-8-2-3-9-7/h4,10H,2-3H2,1H3,(H,8,9)
InChIKeyLGMLYHLDAJYNPM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.71
Rot. Bonds

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

2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one (PubChem CID 10535056) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one
PubChem CID10535056
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2=NCCN2)[nH]1
InChIInChI=1S/C7H10N4O/c1-5-4-6(12)11(10-5)7-8-2-3-9-7/h4,10H,2-3H2,1H3,(H,8,9)
InChIKeyLGMLYHLDAJYNPM-UHFFFAOYSA-N
XLogP-0.71
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135464837
1-(4,5-Dihydro-1H-imidazol-2-yl)-3,4-dimethyl-1H-pyrazol-5-ol
CID 388450
1-(4,5-Dihydro-1h-imidazol-2-yl)-3-(trifluoromethyl)-1h-pyrazol-5-ol
CID 164662810
5-Methyl-3a,4-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one
CID 13628034
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
5-methyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-7-one
CID 57102876
1-Cyano-2-methyl-3-[2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylamino]ethyl]guanidine
CID 57182748
5-[[2-aminoethyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62688101
5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 64083656
2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66490209
5-Methyl-2-(piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 97619396
5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455334

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one (CID 10535056) is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(C2=NCCN2)[nH]1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is LGMLYHLDAJYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-4-6(12)11(10-5)7-8-2-3-9-7/h4,10H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one?
2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 166.18 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 10535056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).