[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone

C20H20FN5O2 — CID 121162348

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1
InChIInChI=1S/C20H20FN5O2/c1-13-22-9-6-19(23-13)28-16-7-10-26(11-8-16)20(27)18-12-17(24-25-18)14-2-4-15(21)5-3-14/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,24,25)
InChIKeyOOPVUEBIVRVXTA-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.00
Rot. Bonds4

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

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 121162348) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID121162348
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1
InChIInChI=1S/C20H20FN5O2/c1-13-22-9-6-19(23-13)28-16-7-10-26(11-8-16)20(27)18-12-17(24-25-18)14-2-4-15(21)5-3-14/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,24,25)
InChIKeyOOPVUEBIVRVXTA-UHFFFAOYSA-N
XLogP3.00
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 121162348) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is Cc1nccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is OOPVUEBIVRVXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-13-22-9-6-19(23-13)28-16-7-10-26(11-8-16)20(27)18-12-17(24-25-18)14-2-4-15(21)5-3-14/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,24,25).
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121162348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).