3-methyl-1,4-dihydropyrazol-5-one

C4H6N2O — CID 7920

IUPAC3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1
InChIInChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)
InChIKeyNHLAPJMCARJFOG-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.12
Rot. Bonds

About 3-methyl-1,4-dihydropyrazol-5-one

3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 7920) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-methyl-1,4-dihydropyrazol-5-one
PubChem CID7920
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1
InChIInChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)
InChIKeyNHLAPJMCARJFOG-UHFFFAOYSA-N
XLogP-0.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 459434
4,5-Dihydro-6-methyl-3(2H)-pyridazinone
CID 78834
3,4-Dimethyl-5-pyrazolone
CID 97947
3-Propyl-1,4-dihydropyrazol-5-one
CID 269244
5-oxo-N-(propan-2-ylideneamino)-1,4-dihydropyrazole-3-carboxamide
CID 948382
2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one
CID 76665
N-(propan-2-ylideneamino)acetamide
CID 242922
3-(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 13356429
N-(propan-2-ylideneamino)propanamide
CID 238524
3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-
CID 3098809
Methylethylketon-propionylhydrazon
CID 54149775
4-Fluoro-3-methyl-1,4-dihydropyrazol-5-one
CID 73176751

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-methyl-1,4-dihydropyrazol-5-one (CID 7920) is 3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1.
What is the InChIKey of 3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is NHLAPJMCARJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7).
What are the key properties of 3-methyl-1,4-dihydropyrazol-5-one?
3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 98.10 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 7920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).