1-cyclohexylpyrazole-4-carboxylic acid

C10H14N2O2 — CID 51491571

IUPAC1-cyclohexylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C10H14N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14)
InChIKeyYBPYKQCBFDDVMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.09
Rot. Bonds2

About 1-cyclohexylpyrazole-4-carboxylic acid

1-cyclohexylpyrazole-4-carboxylic acid (PubChem CID 51491571) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-cyclohexylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexylpyrazole-4-carboxylic acid
PubChem CID51491571
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-cyclohexylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C10H14N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14)
InChIKeyYBPYKQCBFDDVMV-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclohexylpyrazole-4-carboxylic acid (CID 51491571) is 1-cyclohexylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclohexylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclohexylpyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexylpyrazole-4-carboxylic acid?
The InChIKey is YBPYKQCBFDDVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14).
What are the key properties of 1-cyclohexylpyrazole-4-carboxylic acid?
1-cyclohexylpyrazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrazole-4-carboxylic acid is sourced from PubChem (CID 51491571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).