5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid

C15H16N2O2 — CID 82299597

IUPAC5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid
SMILESC=CCn1nc(C(=O)O)cc1-c1cc(C)ccc1C
InChIInChI=1S/C15H16N2O2/c1-4-7-17-14(9-13(16-17)15(18)19)12-8-10(2)5-6-11(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,18,19)
InChIKeyGZFUNSHRVGUMJH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.05
Rot. Bonds4

About 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid

5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid (PubChem CID 82299597) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid
PubChem CID82299597
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid
SMILESC=CCn1nc(C(=O)O)cc1-c1cc(C)ccc1C
InChIInChI=1S/C15H16N2O2/c1-4-7-17-14(9-13(16-17)15(18)19)12-8-10(2)5-6-11(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,18,19)
InChIKeyGZFUNSHRVGUMJH-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid
CID 82299599
5-(5-chlorothiophen-2-yl)-1-prop-2-enylpyrazole-3-carboxylic acid
CID 82305239
1-butyl-5-(2,4-dimethylphenyl)pyrazole-3-carboxylic acid
CID 82306392
6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid
CID 130170703
5-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117373140
[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336445
3-(2,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141377
5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole
CID 134846626
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 23934125
5-(2-methoxy-5-methylphenyl)-1-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110336745

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid (CID 82299597) is 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid is C=CCn1nc(C(=O)O)cc1-c1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid?
The InChIKey is GZFUNSHRVGUMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-7-17-14(9-13(16-17)15(18)19)12-8-10(2)5-6-11(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,18,19).
What are the key properties of 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid?
5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-1-prop-2-enylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82299597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).