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

C6H8N2O3 — CID 82416213

IUPAC2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)[nH][nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-3-4(2-5(9)10)7-8-6(3)11/h2H2,1H3,(H,9,10)(H2,7,8,11)
InChIKeyUJWDMSKNXZTREP-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.36
Rot. Bonds2

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

2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid (PubChem CID 82416213) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid
PubChem CID82416213
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)[nH][nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-3-4(2-5(9)10)7-8-6(3)11/h2H2,1H3,(H,9,10)(H2,7,8,11)
InChIKeyUJWDMSKNXZTREP-UHFFFAOYSA-N
XLogP-0.36
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.36
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
(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-YL)acetic acid
CID 2069027
3-Ethyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 68159388
Carbon dioxide;4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
CID 161475032
2-(5-Oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 67318648
3-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82412564
2-Methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82412595
3-(Carboxymethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 82602262
2-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 83856942
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
1-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 83856946

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid?
The IUPAC name of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid (CID 82416213) is 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid is Cc1c(CC(=O)O)[nH][nH]c1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid?
The InChIKey is UJWDMSKNXZTREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-4(2-5(9)10)7-8-6(3)11/h2H2,1H3,(H,9,10)(H2,7,8,11).
What are the key properties of 2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid?
2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)acetic acid has a molecular weight of 156.14 g/mol, XLogP of -0.36, 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)acetic acid is sourced from PubChem (CID 82416213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).