1-pyrazol-1-ylcyclohexane-1-carboxylic acid

C10H14N2O2 — CID 82235104

IUPAC1-pyrazol-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9(14)10(5-2-1-3-6-10)12-8-4-7-11-12/h4,7-8H,1-3,5-6H2,(H,13,14)
InChIKeyKXYAJPVQPLISSE-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.63
Rot. Bonds2

About 1-pyrazol-1-ylcyclohexane-1-carboxylic acid

1-pyrazol-1-ylcyclohexane-1-carboxylic acid (PubChem CID 82235104) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-pyrazol-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyrazol-1-ylcyclohexane-1-carboxylic acid
PubChem CID82235104
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-pyrazol-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9(14)10(5-2-1-3-6-10)12-8-4-7-11-12/h4,7-8H,1-3,5-6H2,(H,13,14)
InChIKeyKXYAJPVQPLISSE-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-pyrazol-1-ylcyclohexane-1-carboxylic acid (CID 82235104) is 1-pyrazol-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-pyrazol-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-pyrazol-1-ylcyclohexane-1-carboxylic acid is O=C(O)C1(n2cccn2)CCCCC1.
What is the InChIKey of 1-pyrazol-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is KXYAJPVQPLISSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9(14)10(5-2-1-3-6-10)12-8-4-7-11-12/h4,7-8H,1-3,5-6H2,(H,13,14).
What are the key properties of 1-pyrazol-1-ylcyclohexane-1-carboxylic acid?
1-pyrazol-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82235104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).