3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid

C14H16N2O4 — CID 117442260

IUPAC3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(C)c(C)c(-c2cc(C(=O)O)[nH]n2)c1OC
InChIInChI=1S/C14H16N2O4/c1-7-5-11(19-3)13(20-4)12(8(7)2)9-6-10(14(17)18)16-15-9/h5-6H,1-4H3,(H,15,16)(H,17,18)
InChIKeyVVXBFZHEOGUUMB-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.41
Rot. Bonds4

About 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid

3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117442260) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117442260
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(C)c(C)c(-c2cc(C(=O)O)[nH]n2)c1OC
InChIInChI=1S/C14H16N2O4/c1-7-5-11(19-3)13(20-4)12(8(7)2)9-6-10(14(17)18)16-15-9/h5-6H,1-4H3,(H,15,16)(H,17,18)
InChIKeyVVXBFZHEOGUUMB-UHFFFAOYSA-N
XLogP2.41
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-difluoro-5,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117457469
3-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117454126
3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
3-(3-bromo-2-hydroxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136928659
3-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117458093
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(3-formyl-4,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442030
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(4-fluoro-3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378382

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117442260) is 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid is COc1cc(C)c(C)c(-c2cc(C(=O)O)[nH]n2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VVXBFZHEOGUUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-7-5-11(19-3)13(20-4)12(8(7)2)9-6-10(14(17)18)16-15-9/h5-6H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117442260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).