1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid

C10H13FN2O2 — CID 84734670

IUPAC1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCC(F)CC2)c1
InChIInChI=1S/C10H13FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h5-6,8-9H,1-4H2,(H,14,15)
InChIKeyBGKUHKCYUCAONV-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.03
Rot. Bonds2

About 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid

1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid (PubChem CID 84734670) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid
PubChem CID84734670
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCC(F)CC2)c1
InChIInChI=1S/C10H13FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h5-6,8-9H,1-4H2,(H,14,15)
InChIKeyBGKUHKCYUCAONV-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid (CID 84734670) is 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCC(F)CC2)c1.
What is the InChIKey of 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid?
The InChIKey is BGKUHKCYUCAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h5-6,8-9H,1-4H2,(H,14,15).
What are the key properties of 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid?
1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid has a molecular weight of 212.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 84734670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).