1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid

C15H16N2O4 — CID 82361807

IUPAC1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)nn1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H16N2O4/c1-3-4-12-9-13(14(18)19)16-17(12)11-7-5-10(6-8-11)15(20)21-2/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyLVSMZQYMBRBDQG-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.31
Rot. Bonds5

About 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid

1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid (PubChem CID 82361807) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
PubChem CID82361807
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)nn1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H16N2O4/c1-3-4-12-9-13(14(18)19)16-17(12)11-7-5-10(6-8-11)15(20)21-2/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyLVSMZQYMBRBDQG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
5-methyl-1-(4-propoxycarbonylphenyl)pyrazole-3-carboxylic acid
CID 82361649
1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
5-butyl-1-[4-(dimethylamino)phenyl]pyrazole-3-carboxylic acid
CID 82361852
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
methyl 4-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 162378113
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
ethyl 5-butyl-1-(4-phenylphenyl)pyrazole-3-carboxylate
CID 141430233
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
methyl 4-[5-amino-3-(1-iodobutyl)pyrazol-1-yl]benzoate
CID 137428000
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid (CID 82361807) is 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid is CCCc1cc(C(=O)O)nn1-c1ccc(C(=O)OC)cc1.
What is the InChIKey of 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid?
The InChIKey is LVSMZQYMBRBDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-4-12-9-13(14(18)19)16-17(12)11-7-5-10(6-8-11)15(20)21-2/h5-9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid?
1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82361807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).