methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate

C9H13N3O3 — CID 107427738

IUPACmethyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate
SMILESCNC(=O)c1ccn([C@H](C)C(=O)OC)n1
InChIInChI=1S/C9H13N3O3/c1-6(9(14)15-3)12-5-4-7(11-12)8(13)10-2/h4-6H,1-3H3,(H,10,13)/t6-/m1/s1
InChIKeyKOZWYGVAPZWHLK-ZCFIWIBFSA-N
MW211.22 g/mol
LogP-0.02
Rot. Bonds3

About methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate

methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate (PubChem CID 107427738) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate
PubChem CID107427738
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate
SMILESCNC(=O)c1ccn([C@H](C)C(=O)OC)n1
InChIInChI=1S/C9H13N3O3/c1-6(9(14)15-3)12-5-4-7(11-12)8(13)10-2/h4-6H,1-3H3,(H,10,13)/t6-/m1/s1
InChIKeyKOZWYGVAPZWHLK-ZCFIWIBFSA-N
XLogP-0.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate (CID 107427738) is methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate is CNC(=O)c1ccn([C@H](C)C(=O)OC)n1.
What is the InChIKey of methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate?
The InChIKey is KOZWYGVAPZWHLK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(9(14)15-3)12-5-4-7(11-12)8(13)10-2/h4-6H,1-3H3,(H,10,13)/t6-/m1/s1.
What are the key properties of methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate?
methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate has a molecular weight of 211.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate is sourced from PubChem (CID 107427738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).