3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C14H15N3O5 — CID 29095890

IUPAC3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1cccc(NC(=O)c2nn(C)cc2C(=O)O)c1OC
InChIInChI=1S/C14H15N3O5/c1-17-7-8(14(19)20)11(16-17)13(18)15-9-5-4-6-10(21-2)12(9)22-3/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyGYQQKGITAGJUEW-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.39
Rot. Bonds5

About 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 29095890) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID29095890
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1cccc(NC(=O)c2nn(C)cc2C(=O)O)c1OC
InChIInChI=1S/C14H15N3O5/c1-17-7-8(14(19)20)11(16-17)13(18)15-9-5-4-6-10(21-2)12(9)22-3/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyGYQQKGITAGJUEW-UHFFFAOYSA-N
XLogP1.39
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 29095890) is 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is COc1cccc(NC(=O)c2nn(C)cc2C(=O)O)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GYQQKGITAGJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-17-7-8(14(19)20)11(16-17)13(18)15-9-5-4-6-10(21-2)12(9)22-3/h4-7H,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 29095890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).