5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid

C15H16N2O4 — CID 82361649

IUPAC5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid
SMILESCCCOC(=O)c1ccc(-n2nc(C(=O)O)cc2C)cc1
InChIInChI=1S/C15H16N2O4/c1-3-8-21-15(20)11-4-6-12(7-5-11)17-10(2)9-13(16-17)14(18)19/h4-7,9H,3,8H2,1-2H3,(H,18,19)
InChIKeyVEDXVLXBQKCVJD-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.45
Rot. Bonds5

About 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid

5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid (PubChem CID 82361649) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid
PubChem CID82361649
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid
SMILESCCCOC(=O)c1ccc(-n2nc(C(=O)O)cc2C)cc1
InChIInChI=1S/C15H16N2O4/c1-3-8-21-15(20)11-4-6-12(7-5-11)17-10(2)9-13(16-17)14(18)19/h4-7,9H,3,8H2,1-2H3,(H,18,19)
InChIKeyVEDXVLXBQKCVJD-UHFFFAOYSA-N
XLogP2.45
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 55755392
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361807
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
3-(3-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid
CID 135330912
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
prop-2-enyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50887443
1-(3-amino-4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82513717
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
ethyl 1-(4-cyanophenyl)-5-methylpyrazole-3-carboxylate
CID 129139557
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid (CID 82361649) is 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid is CCCOC(=O)c1ccc(-n2nc(C(=O)O)cc2C)cc1.
What is the InChIKey of 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is VEDXVLXBQKCVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-8-21-15(20)11-4-6-12(7-5-11)17-10(2)9-13(16-17)14(18)19/h4-7,9H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid?
5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82361649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).