[3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone

C17H27N3O2 — CID 45168786

IUPAC[3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(C)Cc1cn[nH]c1C1CCCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C17H27N3O2/c1-12(2)8-15-9-18-19-16(15)13-4-3-6-20(10-13)17(21)14-5-7-22-11-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,18,19)
InChIKeyAAAWNMVHLGWJFJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.35
Rot. Bonds4

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

[3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 45168786) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID45168786
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(C)Cc1cn[nH]c1C1CCCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C17H27N3O2/c1-12(2)8-15-9-18-19-16(15)13-4-3-6-20(10-13)17(21)14-5-7-22-11-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,18,19)
InChIKeyAAAWNMVHLGWJFJ-UHFFFAOYSA-N
XLogP2.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone (CID 45168786) is [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone is CC(C)Cc1cn[nH]c1C1CCCN(C(=O)C2CCOC2)C1.
What is the InChIKey of [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is AAAWNMVHLGWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)8-15-9-18-19-16(15)13-4-3-6-20(10-13)17(21)14-5-7-22-11-14/h9,12-14H,3-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
[3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 305.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 45168786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).