[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C17H23N5O2 — CID 50972845

IUPAC[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(Oc3ncccn3)CC2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-12(2)10-13-11-15(21-20-13)16(23)22-8-4-14(5-9-22)24-17-18-6-3-7-19-17/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3,(H,20,21)
InChIKeyLQOZOBHXLKPFKB-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds5

About [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 50972845) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID50972845
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(Oc3ncccn3)CC2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-12(2)10-13-11-15(21-20-13)16(23)22-8-4-14(5-9-22)24-17-18-6-3-7-19-17/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3,(H,20,21)
InChIKeyLQOZOBHXLKPFKB-UHFFFAOYSA-N
XLogP2.08
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 50972845) is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is CC(C)Cc1cc(C(=O)N2CCC(Oc3ncccn3)CC2)n[nH]1.
What is the InChIKey of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is LQOZOBHXLKPFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)10-13-11-15(21-20-13)16(23)22-8-4-14(5-9-22)24-17-18-6-3-7-19-17/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3,(H,20,21).
What are the key properties of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 50972845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).