1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid

C16H18N2O3 — CID 82361985

IUPAC1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)O)cc2C2CCCO2)c1C
InChIInChI=1S/C16H18N2O3/c1-10-5-3-6-13(11(10)2)18-14(15-7-4-8-21-15)9-12(17-18)16(19)20/h3,5-6,9,15H,4,7-8H2,1-2H3,(H,19,20)
InChIKeyDNJPFWSSNAWZGW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.04
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid

1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid (PubChem CID 82361985) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
PubChem CID82361985
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-n2nc(C(=O)O)cc2C2CCCO2)c1C
InChIInChI=1S/C16H18N2O3/c1-10-5-3-6-13(11(10)2)18-14(15-7-4-8-21-15)9-12(17-18)16(19)20/h3,5-6,9,15H,4,7-8H2,1-2H3,(H,19,20)
InChIKeyDNJPFWSSNAWZGW-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-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-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
CID 82361990
1-(2-methylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361459
1-(2,6-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361456
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185149
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
1-(3-methylphenyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82201222
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252548
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153645
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide
CID 113043707

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid (CID 82361985) is 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid is Cc1cccc(-n2nc(C(=O)O)cc2C2CCCO2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is DNJPFWSSNAWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-5-3-6-13(11(10)2)18-14(15-7-4-8-21-15)9-12(17-18)16(19)20/h3,5-6,9,15H,4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid?
1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82361985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).