5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol

C12H19FN2O — CID 166977497

IUPAC5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol
SMILESCn1nc(C2(F)CC2)cc1CCCCCO
InChIInChI=1S/C12H19FN2O/c1-15-10(5-3-2-4-8-16)9-11(14-15)12(13)6-7-12/h9,16H,2-8H2,1H3
InChIKeyUSZCLXNFFIIZBG-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.08
Rot. Bonds6

About 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol

5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol (PubChem CID 166977497) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol
PubChem CID166977497
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol
SMILESCn1nc(C2(F)CC2)cc1CCCCCO
InChIInChI=1S/C12H19FN2O/c1-15-10(5-3-2-4-8-16)9-11(14-15)12(13)6-7-12/h9,16H,2-8H2,1H3
InChIKeyUSZCLXNFFIIZBG-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol?
The IUPAC name of 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol (CID 166977497) is 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol?
The canonical SMILES for 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol is Cn1nc(C2(F)CC2)cc1CCCCCO.
What is the InChIKey of 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol?
The InChIKey is USZCLXNFFIIZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-15-10(5-3-2-4-8-16)9-11(14-15)12(13)6-7-12/h9,16H,2-8H2,1H3.
What are the key properties of 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol?
5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol is sourced from PubChem (CID 166977497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).