[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

C19H18FN5O2 — CID 121161773

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C19H18FN5O2/c20-14-3-1-13(2-4-14)16-11-17(24-23-16)19(26)25-9-6-15(7-10-25)27-18-5-8-21-12-22-18/h1-5,8,11-12,15H,6-7,9-10H2,(H,23,24)
InChIKeyHQGCAIMVOBFFNP-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.69
Rot. Bonds4

About [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121161773) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121161773
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C19H18FN5O2/c20-14-3-1-13(2-4-14)16-11-17(24-23-16)19(26)25-9-6-15(7-10-25)27-18-5-8-21-12-22-18/h1-5,8,11-12,15H,6-7,9-10H2,(H,23,24)
InChIKeyHQGCAIMVOBFFNP-UHFFFAOYSA-N
XLogP2.69
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.69
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-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121161773) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is HQGCAIMVOBFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-3-1-13(2-4-14)16-11-17(24-23-16)19(26)25-9-6-15(7-10-25)27-18-5-8-21-12-22-18/h1-5,8,11-12,15H,6-7,9-10H2,(H,23,24).
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 367.38 g/mol, XLogP of 2.69, 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-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121161773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).