3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate

C7H11N2O2- — CID 7276393

IUPAC3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate
SMILESCC1=NN(CCC(=O)[O-])CC1
InChIInChI=1S/C7H12N2O2/c1-6-2-4-9(8-6)5-3-7(10)11/h2-5H2,1H3,(H,10,11)/p-1
InChIKeyOMGIZEDLXGDIKX-UHFFFAOYSA-M
MW155.18 g/mol
LogP-0.79
Rot. Bonds3

About 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate

3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate (PubChem CID 7276393) has the molecular formula C7H11N2O2- and a molecular weight of 155.18 g/mol. Its IUPAC name is 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate.

Molecular Properties

Compound Name3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate
PubChem CID7276393
Molecular FormulaC7H11N2O2-
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate
SMILESCC1=NN(CCC(=O)[O-])CC1
InChIInChI=1S/C7H12N2O2/c1-6-2-4-9(8-6)5-3-7(10)11/h2-5H2,1H3,(H,10,11)/p-1
InChIKeyOMGIZEDLXGDIKX-UHFFFAOYSA-M
XLogP-0.79
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate?
The IUPAC name of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate (CID 7276393) is 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate.
What is the SMILES notation for 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate?
The canonical SMILES for 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate is CC1=NN(CCC(=O)[O-])CC1.
What is the InChIKey of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate?
The InChIKey is OMGIZEDLXGDIKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2O2/c1-6-2-4-9(8-6)5-3-7(10)11/h2-5H2,1H3,(H,10,11)/p-1.
What are the key properties of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate?
3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate has a molecular weight of 155.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoate is sourced from PubChem (CID 7276393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).