1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid

C15H18N2O3 — CID 82361782

IUPAC1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)nn1-c1ccccc1OCC
InChIInChI=1S/C15H18N2O3/c1-3-7-11-10-12(15(18)19)16-17(11)13-8-5-6-9-14(13)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyJTXVHSQJBVCIKS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.92
Rot. Bonds6

About 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid

1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid (PubChem CID 82361782) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
PubChem CID82361782
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)nn1-c1ccccc1OCC
InChIInChI=1S/C15H18N2O3/c1-3-7-11-10-12(15(18)19)16-17(11)13-8-5-6-9-14(13)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyJTXVHSQJBVCIKS-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362041
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
3-(2-ethoxyphenyl)benzotriazole-5-carboxylic acid
CID 82770773
1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82089543
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
CID 23732214
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
5-tert-butyl-1-(2-ethoxyphenyl)pyrazole-4-carboxylic acid
CID 82361311
1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946663
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid (CID 82361782) is 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid is CCCc1cc(C(=O)O)nn1-c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid?
The InChIKey is JTXVHSQJBVCIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-7-11-10-12(15(18)19)16-17(11)13-8-5-6-9-14(13)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid?
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82361782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).