1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid

C15H18N2O3 — CID 82361271

IUPAC1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCOc1ccccc1-n1ncc(C(=O)O)c1C(C)C
InChIInChI=1S/C15H18N2O3/c1-4-20-13-8-6-5-7-12(13)17-14(10(2)3)11(9-16-17)15(18)19/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyPLWWXKDWBPVOEG-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid

1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 82361271) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID82361271
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCOc1ccccc1-n1ncc(C(=O)O)c1C(C)C
InChIInChI=1S/C15H18N2O3/c1-4-20-13-8-6-5-7-12(13)17-14(10(2)3)11(9-16-17)15(18)19/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyPLWWXKDWBPVOEG-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-1-(2-ethoxyphenyl)pyrazole-4-carboxylic acid
CID 82361311
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 43070211
1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82300551
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82361158
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
2-ethoxybenzoic acid;zinc
CID 172723273
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
CID 68956850
5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid
CID 59324710
[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82527967
5-[(2-ethoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630565

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid (CID 82361271) is 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid is CCOc1ccccc1-n1ncc(C(=O)O)c1C(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is PLWWXKDWBPVOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-13-8-6-5-7-12(13)17-14(10(2)3)11(9-16-17)15(18)19/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid?
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82361271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).