methyl 2-(1-methylpyrazol-3-yl)acetate

C7H10N2O2 — CID 13269736

IUPACmethyl 2-(1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1ccn(C)n1
InChIInChI=1S/C7H10N2O2/c1-9-4-3-6(8-9)5-7(10)11-2/h3-4H,5H2,1-2H3
InChIKeyGIFRTTRBMQQKRD-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.14
Rot. Bonds2

About methyl 2-(1-methylpyrazol-3-yl)acetate

methyl 2-(1-methylpyrazol-3-yl)acetate (PubChem CID 13269736) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 2-(1-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methylpyrazol-3-yl)acetate
PubChem CID13269736
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 2-(1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1ccn(C)n1
InChIInChI=1S/C7H10N2O2/c1-9-4-3-6(8-9)5-7(10)11-2/h3-4H,5H2,1-2H3
InChIKeyGIFRTTRBMQQKRD-UHFFFAOYSA-N
XLogP0.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate
CID 71285910
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone
CID 115793115
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703
methyl 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474846
3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116586852
1-(4-methoxyoxan-4-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116748665
3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
1-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82870110

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-(1-methylpyrazol-3-yl)acetate (CID 13269736) is methyl 2-(1-methylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-methylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-methylpyrazol-3-yl)acetate is COC(=O)Cc1ccn(C)n1.
What is the InChIKey of methyl 2-(1-methylpyrazol-3-yl)acetate?
The InChIKey is GIFRTTRBMQQKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-9-4-3-6(8-9)5-7(10)11-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(1-methylpyrazol-3-yl)acetate?
methyl 2-(1-methylpyrazol-3-yl)acetate has a molecular weight of 154.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 13269736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).