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

C20H20FN5O2 — CID 121162007

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C20H20FN5O2/c1-25-18(12-17(24-25)14-2-4-15(21)5-3-14)20(27)26-10-7-16(8-11-26)28-19-6-9-22-13-23-19/h2-6,9,12-13,16H,7-8,10-11H2,1H3
InChIKeyKEMWGKBKDZDOQU-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.70
Rot. Bonds4

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

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121162007) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121162007
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C20H20FN5O2/c1-25-18(12-17(24-25)14-2-4-15(21)5-3-14)20(27)26-10-7-16(8-11-26)28-19-6-9-22-13-23-19/h2-6,9,12-13,16H,7-8,10-11H2,1H3
InChIKeyKEMWGKBKDZDOQU-UHFFFAOYSA-N
XLogP2.70
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 72717340
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 121160924
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162006
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 90637917
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161454
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259907
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71787059
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 71799449
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162591
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162005
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121162007) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is KEMWGKBKDZDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-25-18(12-17(24-25)14-2-4-15(21)5-3-14)20(27)26-10-7-16(8-11-26)28-19-6-9-22-13-23-19/h2-6,9,12-13,16H,7-8,10-11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 381.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121162007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).