1-(2-fluorocyclohexyl)-4-methylpyrazole

C10H15FN2 — CID 84732461

IUPAC1-(2-fluorocyclohexyl)-4-methylpyrazole
SMILESCc1cnn(C2CCCCC2F)c1
InChIInChI=1S/C10H15FN2/c1-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h6-7,9-10H,2-5H2,1H3
InChIKeyQVIIMNURKIFCHY-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.64
Rot. Bonds1

About 1-(2-fluorocyclohexyl)-4-methylpyrazole

1-(2-fluorocyclohexyl)-4-methylpyrazole (PubChem CID 84732461) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(2-fluorocyclohexyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2-fluorocyclohexyl)-4-methylpyrazole
PubChem CID84732461
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(2-fluorocyclohexyl)-4-methylpyrazole
SMILESCc1cnn(C2CCCCC2F)c1
InChIInChI=1S/C10H15FN2/c1-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h6-7,9-10H,2-5H2,1H3
InChIKeyQVIIMNURKIFCHY-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexyl)-4-methylpyrazole?
The IUPAC name of 1-(2-fluorocyclohexyl)-4-methylpyrazole (CID 84732461) is 1-(2-fluorocyclohexyl)-4-methylpyrazole.
What is the SMILES notation for 1-(2-fluorocyclohexyl)-4-methylpyrazole?
The canonical SMILES for 1-(2-fluorocyclohexyl)-4-methylpyrazole is Cc1cnn(C2CCCCC2F)c1.
What is the InChIKey of 1-(2-fluorocyclohexyl)-4-methylpyrazole?
The InChIKey is QVIIMNURKIFCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8-6-12-13(7-8)10-5-3-2-4-9(10)11/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 1-(2-fluorocyclohexyl)-4-methylpyrazole?
1-(2-fluorocyclohexyl)-4-methylpyrazole has a molecular weight of 182.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexyl)-4-methylpyrazole is sourced from PubChem (CID 84732461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).