1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid

C13H13ClN2O4 — CID 117232476

IUPAC1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCC2)cnn1-c1ccc(Cl)o1
InChIInChI=1S/C13H13ClN2O4/c14-10-5-6-11(20-10)16-12(13(17)18)9(7-15-16)19-8-3-1-2-4-8/h5-8H,1-4H2,(H,17,18)
InChIKeyXGCYQASQOLEFPK-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.14
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid

1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid (PubChem CID 117232476) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid
PubChem CID117232476
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCC2)cnn1-c1ccc(Cl)o1
InChIInChI=1S/C13H13ClN2O4/c14-10-5-6-11(20-10)16-12(13(17)18)9(7-15-16)19-8-3-1-2-4-8/h5-8H,1-4H2,(H,17,18)
InChIKeyXGCYQASQOLEFPK-UHFFFAOYSA-N
XLogP3.14
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
CID 117231819
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
CID 117232886
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117232013
3-(5-chloro-4-cyclohexyloxypyrazol-1-yl)phenol
CID 117232892
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
CID 117232891
5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
CID 117232974
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid?
The IUPAC name of 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid (CID 117232476) is 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid is O=C(O)c1c(OC2CCCC2)cnn1-c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid?
The InChIKey is XGCYQASQOLEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c14-10-5-6-11(20-10)16-12(13(17)18)9(7-15-16)19-8-3-1-2-4-8/h5-8H,1-4H2,(H,17,18).
What are the key properties of 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid?
1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid has a molecular weight of 296.71 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid is sourced from PubChem (CID 117232476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).