1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole

C11H17FN2 — CID 167006448

IUPAC1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole
SMILESCCC1CCCC[C@@H]1n1cc(F)cn1
InChIInChI=1S/C11H17FN2/c1-2-9-5-3-4-6-11(9)14-8-10(12)7-13-14/h7-9,11H,2-6H2,1H3/t9?,11-/m0/s1
InChIKeyUZORDAASCVCXHG-UMJHXOGRSA-N
MW196.27 g/mol
LogP3.16
Rot. Bonds2

About 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole

1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole (PubChem CID 167006448) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole.

Molecular Properties

Compound Name1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole
PubChem CID167006448
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole
SMILESCCC1CCCC[C@@H]1n1cc(F)cn1
InChIInChI=1S/C11H17FN2/c1-2-9-5-3-4-6-11(9)14-8-10(12)7-13-14/h7-9,11H,2-6H2,1H3/t9?,11-/m0/s1
InChIKeyUZORDAASCVCXHG-UMJHXOGRSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole?
The IUPAC name of 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole (CID 167006448) is 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole.
What is the SMILES notation for 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole?
The canonical SMILES for 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole is CCC1CCCC[C@@H]1n1cc(F)cn1.
What is the InChIKey of 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole?
The InChIKey is UZORDAASCVCXHG-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H17FN2/c1-2-9-5-3-4-6-11(9)14-8-10(12)7-13-14/h7-9,11H,2-6H2,1H3/t9?,11-/m0/s1.
What are the key properties of 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole?
1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole has a molecular weight of 196.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-ethylcyclohexyl]-4-fluoropyrazole is sourced from PubChem (CID 167006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).