2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

C7H10N2O3 — CID 83856942

IUPAC2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESCc1c(C(C)C(=O)O)[nH][nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3-5(4(2)7(11)12)8-9-6(3)10/h4H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyKGNKIKRGRFTWGY-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.20
Rot. Bonds2

About 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (PubChem CID 83856942) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
PubChem CID83856942
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESCc1c(C(C)C(=O)O)[nH][nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3-5(4(2)7(11)12)8-9-6(3)10/h4H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyKGNKIKRGRFTWGY-UHFFFAOYSA-N
XLogP0.20
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetic acid
CID 16765315
2-(5-Oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 66769139
2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 67320132
3-Ethyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 68159388
2-(5-Oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 67318648
2-Methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82412595
2-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid
CID 82416213
2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
CID 83846162
2-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 83856943
2-Methyl-2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 83856945
3-Methyl-2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 83856950
5-(2-Hydroxyethyl)-4-methyl-1,2-dihydropyrazol-3-one
CID 83856976

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (CID 83856942) is 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is Cc1c(C(C)C(=O)O)[nH][nH]c1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The InChIKey is KGNKIKRGRFTWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-5(4(2)7(11)12)8-9-6(3)10/h4H,1-2H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is sourced from PubChem (CID 83856942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).