3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C15H16N2O4 — CID 117465689

IUPAC3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)[nH]n2)c1OC1CCC1
InChIInChI=1S/C15H16N2O4/c1-20-13-7-3-6-10(14(13)21-9-4-2-5-9)11-8-12(15(18)19)17-16-11/h3,6-9H,2,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyMNUASGRTVFPFLD-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.71
Rot. Bonds5

About 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117465689) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117465689
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)[nH]n2)c1OC1CCC1
InChIInChI=1S/C15H16N2O4/c1-20-13-7-3-6-10(14(13)21-9-4-2-5-9)11-8-12(15(18)19)17-16-11/h3,6-9H,2,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyMNUASGRTVFPFLD-UHFFFAOYSA-N
XLogP2.71
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117472623
5-(2-cyclopentyloxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117435982
3-(3-methoxy-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117477464
3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117484165
3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117399119
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117472618
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 117465689) is 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1cccc(-c2cc(C(=O)O)[nH]n2)c1OC1CCC1.
What is the InChIKey of 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is MNUASGRTVFPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-7-3-6-10(14(13)21-9-4-2-5-9)11-8-12(15(18)19)17-16-11/h3,6-9H,2,4-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117465689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).