[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

C19H22FN3O2 — CID 71836806

IUPAC[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C19H22FN3O2/c20-15-5-3-13(4-6-15)16-12-17(22-21-16)14-7-9-23(10-8-14)19(24)18-2-1-11-25-18/h3-6,12,14,18H,1-2,7-11H2,(H,21,22)
InChIKeyVQHMUNIDBJCEDF-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.10
Rot. Bonds3

About [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 71836806) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID71836806
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C19H22FN3O2/c20-15-5-3-13(4-6-15)16-12-17(22-21-16)14-7-9-23(10-8-14)19(24)18-2-1-11-25-18/h3-6,12,14,18H,1-2,7-11H2,(H,21,22)
InChIKeyVQHMUNIDBJCEDF-UHFFFAOYSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 71836806) is [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VQHMUNIDBJCEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-5-3-13(4-6-15)16-12-17(22-21-16)14-7-9-23(10-8-14)19(24)18-2-1-11-25-18/h3-6,12,14,18H,1-2,7-11H2,(H,21,22).
What are the key properties of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 343.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 71836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).