4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole

C12H19FN2 — CID 58183059

IUPAC4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1C[C@@H]1CC[C@H](F)C1
InChIInChI=1S/C12H19FN2/c1-8-12(9(2)15(3)14-8)7-10-4-5-11(13)6-10/h10-11H,4-7H2,1-3H3/t10-,11+/m1/s1
InChIKeySKPAIHXEMZWOJF-MNOVXSKESA-N
MW210.30 g/mol
LogP2.72
Rot. Bonds2

About 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole

4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole (PubChem CID 58183059) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole
PubChem CID58183059
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1C[C@@H]1CC[C@H](F)C1
InChIInChI=1S/C12H19FN2/c1-8-12(9(2)15(3)14-8)7-10-4-5-11(13)6-10/h10-11H,4-7H2,1-3H3/t10-,11+/m1/s1
InChIKeySKPAIHXEMZWOJF-MNOVXSKESA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole (CID 58183059) is 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1C[C@@H]1CC[C@H](F)C1.
What is the InChIKey of 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole?
The InChIKey is SKPAIHXEMZWOJF-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19FN2/c1-8-12(9(2)15(3)14-8)7-10-4-5-11(13)6-10/h10-11H,4-7H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole?
4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole has a molecular weight of 210.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 58183059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).