5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid

C15H16N2O3 — CID 82361939

IUPAC5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
SMILESCCOc1ccccc1-n1nc(C(=O)O)cc1C1CC1
InChIInChI=1S/C15H16N2O3/c1-2-20-14-6-4-3-5-12(14)17-13(10-7-8-10)9-11(16-17)15(18)19/h3-6,9-10H,2,7-8H2,1H3,(H,18,19)
InChIKeyCQGGUQORNUPUGD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.85
Rot. Bonds5

About 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid

5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 82361939) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
PubChem CID82361939
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
SMILESCCOc1ccccc1-n1nc(C(=O)O)cc1C1CC1
InChIInChI=1S/C15H16N2O3/c1-2-20-14-6-4-3-5-12(14)17-13(10-7-8-10)9-11(16-17)15(18)19/h3-6,9-10H,2,7-8H2,1H3,(H,18,19)
InChIKeyCQGGUQORNUPUGD-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 55834300
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
1-[6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 164929662
3-(2-ethoxyphenyl)benzotriazole-5-carboxylic acid
CID 82770773
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid (CID 82361939) is 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid is CCOc1ccccc1-n1nc(C(=O)O)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is CQGGUQORNUPUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-14-6-4-3-5-12(14)17-13(10-7-8-10)9-11(16-17)15(18)19/h3-6,9-10H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid?
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82361939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).