4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid

C8H12N2O2 — CID 83695194

IUPAC4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
SMILESCCc1c(C)nn(C)c1C(=O)O
InChIInChI=1S/C8H12N2O2/c1-4-6-5(2)9-10(3)7(6)8(11)12/h4H2,1-3H3,(H,11,12)
InChIKeyGBMNCQFQXDRATH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.99
Rot. Bonds2

About 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid

4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid (PubChem CID 83695194) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
PubChem CID83695194
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
SMILESCCc1c(C)nn(C)c1C(=O)O
InChIInChI=1S/C8H12N2O2/c1-4-6-5(2)9-10(3)7(6)8(11)12/h4H2,1-3H3,(H,11,12)
InChIKeyGBMNCQFQXDRATH-UHFFFAOYSA-N
XLogP0.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate
CID 151322614
4-hydroxy-1,3-dimethylpyrazole-5-carboxylic acid
CID 67201688
carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709277
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
5-ethyl-3-methyltriazole-4-carboxylic acid
CID 84650121
1,3-dimethyl-4-(3-sulfanylprop-1-ynyl)pyrazole-5-carboxylic acid
CID 169486897
4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709278
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-piperidin-1-ylpropanamide
CID 134704973
2-(4,6-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetic acid
CID 79219769
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid (CID 83695194) is 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid is CCc1c(C)nn(C)c1C(=O)O.
What is the InChIKey of 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid?
The InChIKey is GBMNCQFQXDRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6-5(2)9-10(3)7(6)8(11)12/h4H2,1-3H3,(H,11,12).
What are the key properties of 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid?
4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 83695194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).