4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

C12H13N3O4 — CID 22905823

IUPAC4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2n[nH]c(C(=O)O)c2N)cc1OC
InChIInChI=1S/C12H13N3O4/c1-18-7-4-3-6(5-8(7)19-2)10-9(13)11(12(16)17)15-14-10/h3-5H,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHWGXMIXMHHCASB-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 22905823) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID22905823
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2n[nH]c(C(=O)O)c2N)cc1OC
InChIInChI=1S/C12H13N3O4/c1-18-7-4-3-6(5-8(7)19-2)10-9(13)11(12(16)17)15-14-10/h3-5H,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHWGXMIXMHHCASB-UHFFFAOYSA-N
XLogP1.37
TPSA110.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82296194
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 13303408
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53229467
4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
CID 10804945
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357527
4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
3-(5-bromo-2-methoxyphenyl)-4-chloro-1H-pyrazole-5-carboxylic acid
CID 116858457

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 22905823) is 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1ccc(-c2n[nH]c(C(=O)O)c2N)cc1OC.
What is the InChIKey of 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is HWGXMIXMHHCASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-18-7-4-3-6(5-8(7)19-2)10-9(13)11(12(16)17)15-14-10/h3-5H,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 22905823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).