methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate

C10H14N2O3 — CID 125042207

IUPACmethyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]n(C2CC2)c1=O
InChIInChI=1S/C10H14N2O3/c1-6-8(5-9(13)15-2)10(14)12(11-6)7-3-4-7/h7,11H,3-5H2,1-2H3
InChIKeyBYMVXOAAAJYQOZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.54
Rot. Bonds3

About methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate

methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate (PubChem CID 125042207) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
PubChem CID125042207
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]n(C2CC2)c1=O
InChIInChI=1S/C10H14N2O3/c1-6-8(5-9(13)15-2)10(14)12(11-6)7-3-4-7/h7,11H,3-5H2,1-2H3
InChIKeyBYMVXOAAAJYQOZ-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 84670482
ethyl 2-(2,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetate
CID 91096612
2-[3-oxo-2,5-di(propan-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 84081834
2-(2-cyclopropyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081835
2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081838
2-(2-cyclobutyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081839
2-(5-ethyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081843
2-(2-cyclopropyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081844
2-(2-cyclobutyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081845
2-(2-cyclopentyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081846
2-(5-cyclopropyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081848
2-(2,5-dicyclopropyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081849

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate (CID 125042207) is methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate is COC(=O)Cc1c(C)[nH]n(C2CC2)c1=O.
What is the InChIKey of methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
The InChIKey is BYMVXOAAAJYQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-8(5-9(13)15-2)10(14)12(11-6)7-3-4-7/h7,11H,3-5H2,1-2H3.
What are the key properties of methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 125042207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).