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

C7H10N2O3 — CID 21493500

IUPACmethyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate
SMILESCOC(=O)Cc1cc(=O)n(C)[nH]1
InChIInChI=1S/C7H10N2O3/c1-9-6(10)3-5(8-9)4-7(11)12-2/h3,8H,4H2,1-2H3
InChIKeyYGUPRGCWCSAWKV-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.57
Rot. Bonds2

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

methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate (PubChem CID 21493500) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate
PubChem CID21493500
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate
SMILESCOC(=O)Cc1cc(=O)n(C)[nH]1
InChIInChI=1S/C7H10N2O3/c1-9-6(10)3-5(8-9)4-7(11)12-2/h3,8H,4H2,1-2H3
InChIKeyYGUPRGCWCSAWKV-UHFFFAOYSA-N
XLogP-0.57
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 ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-hydroxy-1H-pyrazol-5-yl)acetate
CID 322984
methyl 2-(1-tert-butyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate
CID 4962222
ethyl (5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate
CID 43831447
2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 67320132
2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetic acid
CID 68413311
2-(2-methyl-5-oxo-1H-pyrazol-3-yl)acetic acid
CID 69644355
Ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoate
CID 70254216
methyl (3-hydroxy-1-methyl-1H-pyrazol-5-yl)acetate
CID 85888987
methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoate
CID 90892396
sulfanyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoate
CID 91327758
methyl 2-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)acetate
CID 129057224
2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid
CID 151496507

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate (CID 21493500) is methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate is COC(=O)Cc1cc(=O)n(C)[nH]1.
What is the InChIKey of methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate?
The InChIKey is YGUPRGCWCSAWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-6(10)3-5(8-9)4-7(11)12-2/h3,8H,4H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate?
methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetate is sourced from PubChem (CID 21493500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).