1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid

C17H22N2O2 — CID 82307645

IUPAC1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid
SMILESCCCn1nc(-c2c(C)c(C)cc(C)c2C)cc1C(=O)O
InChIInChI=1S/C17H22N2O2/c1-6-7-19-15(17(20)21)9-14(18-19)16-12(4)10(2)8-11(3)13(16)5/h8-9H,6-7H2,1-5H3,(H,20,21)
InChIKeyDKVOGSKFKWRIMF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.89
Rot. Bonds4

About 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid

1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid (PubChem CID 82307645) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid
PubChem CID82307645
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid
SMILESCCCn1nc(-c2c(C)c(C)cc(C)c2C)cc1C(=O)O
InChIInChI=1S/C17H22N2O2/c1-6-7-19-15(17(20)21)9-14(18-19)16-12(4)10(2)8-11(3)13(16)5/h8-9H,6-7H2,1-5H3,(H,20,21)
InChIKeyDKVOGSKFKWRIMF-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-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

3-(4-methyl-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761159
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propylpyrazole-5-carboxylic acid
CID 82308463
3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
CID 82308466
3-(4-fluoro-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761156
3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid
CID 59722821
1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 82301479
1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
CID 82306859
2-propylpyrazole-3-carboxylic acid
CID 7017775
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid (CID 82307645) is 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid is CCCn1nc(-c2c(C)c(C)cc(C)c2C)cc1C(=O)O.
What is the InChIKey of 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is DKVOGSKFKWRIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-6-7-19-15(17(20)21)9-14(18-19)16-12(4)10(2)8-11(3)13(16)5/h8-9H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid?
1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82307645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).