4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid

C13H18N2O4 — CID 117231819

IUPAC4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCC2)cnn1C1CCOC1
InChIInChI=1S/C13H18N2O4/c16-13(17)12-11(19-10-3-1-2-4-10)7-14-15(12)9-5-6-18-8-9/h7,9-10H,1-6,8H2,(H,16,17)
InChIKeyHJKAPIOXZKKNQQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.86
Rot. Bonds4

About 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid

4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid (PubChem CID 117231819) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
PubChem CID117231819
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCC2)cnn1C1CCOC1
InChIInChI=1S/C13H18N2O4/c16-13(17)12-11(19-10-3-1-2-4-10)7-14-15(12)9-5-6-18-8-9/h7,9-10H,1-6,8H2,(H,16,17)
InChIKeyHJKAPIOXZKKNQQ-UHFFFAOYSA-N
XLogP1.86
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
CID 117232039
1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
CID 117233148
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117232013
5-iodo-1-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 130570199
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936
5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole
CID 117232101
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
5-bromo-1-(oxolan-3-yl)-4-phenoxypyrazole
CID 117231769
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
CID 117232356

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid (CID 117231819) is 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid is O=C(O)c1c(OC2CCCC2)cnn1C1CCOC1.
What is the InChIKey of 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid?
The InChIKey is HJKAPIOXZKKNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-13(17)12-11(19-10-3-1-2-4-10)7-14-15(12)9-5-6-18-8-9/h7,9-10H,1-6,8H2,(H,16,17).
What are the key properties of 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid?
4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117231819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).