3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid

C14H14N2O3 — CID 117399119

IUPAC3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC3CCC3)cc2)n[nH]1
InChIInChI=1S/C14H14N2O3/c17-14(18)13-8-12(15-16-13)9-4-6-11(7-5-9)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,15,16)(H,17,18)
InChIKeyFAFOQLUCMNZBBO-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.71
Rot. Bonds4

About 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117399119) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117399119
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC3CCC3)cc2)n[nH]1
InChIInChI=1S/C14H14N2O3/c17-14(18)13-8-12(15-16-13)9-4-6-11(7-5-9)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,15,16)(H,17,18)
InChIKeyFAFOQLUCMNZBBO-UHFFFAOYSA-N
XLogP2.71
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117401327
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014
3-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117472623
[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 82483039
3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117465689
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
CID 154850398
N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45195424
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117465772
3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111288
3-[4-(1-methylazetidin-3-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117396305

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 117399119) is 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(OC3CCC3)cc2)n[nH]1.
What is the InChIKey of 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is FAFOQLUCMNZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(18)13-8-12(15-16-13)9-4-6-11(7-5-9)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117399119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).