methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate

C7H10N2O3 — CID 121214206

IUPACmethyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCOC(=O)Cn1[nH]c(C)cc1=O
InChIInChI=1S/C7H10N2O3/c1-5-3-6(10)9(8-5)4-7(11)12-2/h3,8H,4H2,1-2H3
InChIKeyWYXRHCMONNODHW-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.34
Rot. Bonds2

About methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate

methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate (PubChem CID 121214206) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
PubChem CID121214206
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCOC(=O)Cn1[nH]c(C)cc1=O
InChIInChI=1S/C7H10N2O3/c1-5-3-6(10)9(8-5)4-7(11)12-2/h3,8H,4H2,1-2H3
InChIKeyWYXRHCMONNODHW-UHFFFAOYSA-N
XLogP-0.34
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetate
CID 21501940
Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
CID 304501
Ethyl 2-[5-hydroxy-3-(trifluoromethyl)pyrazolyl]acetate
CID 4766909
ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate
CID 66022558
ethyl 2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 123567145
methyl 2-(5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 121214251
methyl 2-(5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate
CID 121214252
methyl (2S)-2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]propanoate
CID 129504629
methyl (2R)-2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]propanoate
CID 129504630
2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 19897299
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 20193789
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
CID 20295815

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate (CID 121214206) is methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate is COC(=O)Cn1[nH]c(C)cc1=O.
What is the InChIKey of methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The InChIKey is WYXRHCMONNODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-3-6(10)9(8-5)4-7(11)12-2/h3,8H,4H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetate is sourced from PubChem (CID 121214206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).