methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate

C8H12N2O3 — CID 103338232

IUPACmethyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cnn(C)c1
InChIInChI=1S/C8H12N2O3/c1-6(8(11)12-3)13-7-4-9-10(2)5-7/h4-6H,1-3H3/t6-/m1/s1
InChIKeyDPFPXQLWZVKTIV-ZCFIWIBFSA-N
MW184.19 g/mol
LogP0.36
Rot. Bonds3

About methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate

methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate (PubChem CID 103338232) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate
PubChem CID103338232
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cnn(C)c1
InChIInChI=1S/C8H12N2O3/c1-6(8(11)12-3)13-7-4-9-10(2)5-7/h4-6H,1-3H3/t6-/m1/s1
InChIKeyDPFPXQLWZVKTIV-ZCFIWIBFSA-N
XLogP0.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate?
The IUPAC name of methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate (CID 103338232) is methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate.
What is the SMILES notation for methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate?
The canonical SMILES for methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate is COC(=O)[C@@H](C)Oc1cnn(C)c1.
What is the InChIKey of methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate?
The InChIKey is DPFPXQLWZVKTIV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(8(11)12-3)13-7-4-9-10(2)5-7/h4-6H,1-3H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate?
methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate has a molecular weight of 184.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(1-methylpyrazol-4-yl)oxypropanoate is sourced from PubChem (CID 103338232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).