3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid

C7H12N2O2 — CID 3150929

IUPAC3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid
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)
InChIKeyOMGIZEDLXGDIKX-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.54
Rot. Bonds3

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

3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid (PubChem CID 3150929) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid
PubChem CID3150929
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid
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)
InChIKeyOMGIZEDLXGDIKX-UHFFFAOYSA-N
XLogP0.54
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid
CID 174718984
2,5-Dimethyl-3,4-dihydropyrazole-4-carboxylic acid
CID 67515446
3-(3,4-Dihydropyrazol-2-yl)propanoic acid
CID 70097923
3-(3-Methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)propanoic acid
CID 89377411
2-Ethyl-3,4-dihydropyrazole-5-carboxylic acid
CID 159646981
3-[methyl-[(Z)-propylideneamino]amino]propanoic acid
CID 172951035
3-(5-Methyl-3,4-dihydropyrazol-2-yl)propanoate
CID 7276393
3-(3-Methyl-3,4-dihydropyrazol-2-yl)propanoic acid
CID 129916713

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid (CID 3150929) is 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid is CC1=NN(CCC(=O)O)CC1.
What is the InChIKey of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid?
The InChIKey is OMGIZEDLXGDIKX-UHFFFAOYSA-N. 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).
What are the key properties of 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid?
3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3,4-dihydropyrazol-2-yl)propanoic acid is sourced from PubChem (CID 3150929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).