4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid

C10H14N2O3 — CID 79584024

IUPAC4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
SMILESCc1c(C(=O)C(C)CC(=O)O)cnn1C
InChIInChI=1S/C10H14N2O3/c1-6(4-9(13)14)10(15)8-5-11-12(3)7(8)2/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyTXRCSXSDAUHPHT-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.02
Rot. Bonds4

About 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid

4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid (PubChem CID 79584024) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
PubChem CID79584024
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
SMILESCc1c(C(=O)C(C)CC(=O)O)cnn1C
InChIInChI=1S/C10H14N2O3/c1-6(4-9(13)14)10(15)8-5-11-12(3)7(8)2/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyTXRCSXSDAUHPHT-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-2-ethylbutan-1-one
CID 105117461
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
CID 64991676
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-(4-amino-4-sulfanylidenebutan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 62092793
3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81042606
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
4-[(1,5-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827421
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid (CID 79584024) is 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid is Cc1c(C(=O)C(C)CC(=O)O)cnn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid?
The InChIKey is TXRCSXSDAUHPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(4-9(13)14)10(15)8-5-11-12(3)7(8)2/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid?
4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid is sourced from PubChem (CID 79584024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).