1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid

C15H18N2O3 — CID 82306859

IUPAC1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
SMILESCCn1nc(-c2cc(C)c(C)cc2OC)cc1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-5-17-13(15(18)19)8-12(16-17)11-6-9(2)10(3)7-14(11)20-4/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyPIQCPUMSKDISEE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.89
Rot. Bonds4

About 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid

1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid (PubChem CID 82306859) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
PubChem CID82306859
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
SMILESCCn1nc(-c2cc(C)c(C)cc2OC)cc1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-5-17-13(15(18)19)8-12(16-17)11-6-9(2)10(3)7-14(11)20-4/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyPIQCPUMSKDISEE-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
CID 117216170
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
CID 82308466
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid
CID 82307645
ethyl 1-[1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 46105384
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 42879324
3-amino-4-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485021
1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide
CID 42879359

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid (CID 82306859) is 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid is CCn1nc(-c2cc(C)c(C)cc2OC)cc1C(=O)O.
What is the InChIKey of 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is PIQCPUMSKDISEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-5-17-13(15(18)19)8-12(16-17)11-6-9(2)10(3)7-14(11)20-4/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid?
1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82306859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).