4-methoxy-1-methylpyrazole-5-carboxylic acid

C6H8N2O3 — CID 46398720

IUPAC4-methoxy-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cnn(C)c1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-8-5(6(9)10)4(11-2)3-7-8/h3H,1-2H3,(H,9,10)
InChIKeyMTCFHHJNRCHACG-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.13
Rot. Bonds2

About 4-methoxy-1-methylpyrazole-5-carboxylic acid

4-methoxy-1-methylpyrazole-5-carboxylic acid (PubChem CID 46398720) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-methoxy-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-methylpyrazole-5-carboxylic acid
PubChem CID46398720
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4-methoxy-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cnn(C)c1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-8-5(6(9)10)4(11-2)3-7-8/h3H,1-2H3,(H,9,10)
InChIKeyMTCFHHJNRCHACG-UHFFFAOYSA-N
XLogP0.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid
CID 170756114
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 122558064
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
CID 103454159
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-1-methylpyrazole-5-carboxylic acid (CID 46398720) is 4-methoxy-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-1-methylpyrazole-5-carboxylic acid is COc1cnn(C)c1C(=O)O.
What is the InChIKey of 4-methoxy-1-methylpyrazole-5-carboxylic acid?
The InChIKey is MTCFHHJNRCHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-8-5(6(9)10)4(11-2)3-7-8/h3H,1-2H3,(H,9,10).
What are the key properties of 4-methoxy-1-methylpyrazole-5-carboxylic acid?
4-methoxy-1-methylpyrazole-5-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 46398720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).