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

C19H22FN3O2 — CID 71842283

IUPAC[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C19H22FN3O2/c20-16-3-1-4-17(11-16)23-13-15(12-21-23)14-6-8-22(9-7-14)19(24)18-5-2-10-25-18/h1,3-4,11-14,18H,2,5-10H2
InChIKeyNMAJNQGWZHJDPC-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.90
Rot. Bonds3

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

[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 71842283) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID71842283
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C19H22FN3O2/c20-16-3-1-4-17(11-16)23-13-15(12-21-23)14-6-8-22(9-7-14)19(24)18-5-2-10-25-18/h1,3-4,11-14,18H,2,5-10H2
InChIKeyNMAJNQGWZHJDPC-UHFFFAOYSA-N
XLogP2.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 71842283) is [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is NMAJNQGWZHJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-3-1-4-17(11-16)23-13-15(12-21-23)14-6-8-22(9-7-14)19(24)18-5-2-10-25-18/h1,3-4,11-14,18H,2,5-10H2.
What are the key properties of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 343.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 71842283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).