1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole

C12H19FN2 — CID 153448883

IUPAC1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC2(F)CCCC2)c1
InChIInChI=1S/C12H19FN2/c1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGRWMCBRTPUAYTA-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.29
Rot. Bonds3

About 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole

1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole (PubChem CID 153448883) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole
PubChem CID153448883
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC2(F)CCCC2)c1
InChIInChI=1S/C12H19FN2/c1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGRWMCBRTPUAYTA-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole?
The IUPAC name of 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole (CID 153448883) is 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole?
The canonical SMILES for 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole is CC(C)c1cnn(CC2(F)CCCC2)c1.
What is the InChIKey of 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole?
The InChIKey is GRWMCBRTPUAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole?
1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole has a molecular weight of 210.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole is sourced from PubChem (CID 153448883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).