(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone

C17H22N4O2 — CID 70780966

IUPAC(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(Oc3ccncc3)CC2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-2-3-13-12-16(20-19-13)17(22)21-10-6-15(7-11-21)23-14-4-8-18-9-5-14/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,19,20)
InChIKeyUOEHQYBRYWQWCV-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.44
Rot. Bonds5

About (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone

(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 70780966) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID70780966
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(Oc3ccncc3)CC2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-2-3-13-12-16(20-19-13)17(22)21-10-6-15(7-11-21)23-14-4-8-18-9-5-14/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,19,20)
InChIKeyUOEHQYBRYWQWCV-UHFFFAOYSA-N
XLogP2.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86824416
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46964948
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 118760999
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 97124144
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70737317
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
CID 166335700
[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
(3-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70762589
4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239685

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone (CID 70780966) is (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone is CCCc1cc(C(=O)N2CCC(Oc3ccncc3)CC2)n[nH]1.
What is the InChIKey of (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is UOEHQYBRYWQWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-3-13-12-16(20-19-13)17(22)21-10-6-15(7-11-21)23-14-4-8-18-9-5-14/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 70780966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).