methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate

C7H10N2O3 — CID 15920685

IUPACmethyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(3-6(10)12-2)7(11)9-8-4/h3H2,1-2H3,(H2,8,9,11)
InChIKeyYFAPCCUQEWHJGM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.27
Rot. Bonds2

About methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate

methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate (PubChem CID 15920685) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate
PubChem CID15920685
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(3-6(10)12-2)7(11)9-8-4/h3H2,1-2H3,(H2,8,9,11)
InChIKeyYFAPCCUQEWHJGM-UHFFFAOYSA-N
XLogP-0.27
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-YL)acetic acid
CID 2069027
Ethyl 2-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetate
CID 12197969
Tert-butyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate
CID 67890653
ethyl 2-(2,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetate
CID 91096612
Carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
CID 161475032
4-(2-Methoxyethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 176197598
2-(3-Methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate
CID 2069026
3-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82412564
2-(3-Oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081815
2-(3-Ethyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081816
2-(3-Tert-butyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081820
2-(3-Oxo-5-propyl-1,2-dihydropyrazol-4-yl)acetic acid
CID 84111112

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate (CID 15920685) is methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate is COC(=O)Cc1c(C)[nH][nH]c1=O.
What is the InChIKey of methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate?
The InChIKey is YFAPCCUQEWHJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(3-6(10)12-2)7(11)9-8-4/h3H2,1-2H3,(H2,8,9,11).
What are the key properties of methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate?
methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate is sourced from PubChem (CID 15920685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).