oxan-2-yl-(2-propylpyrazol-3-yl)methanone

C12H18N2O2 — CID 114972338

IUPACoxan-2-yl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CCCCO1
InChIInChI=1S/C12H18N2O2/c1-2-8-14-10(6-7-13-14)12(15)11-5-3-4-9-16-11/h6-7,11H,2-5,8-9H2,1H3
InChIKeyDWXRVXWFNCHOGQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.04
Rot. Bonds4

About oxan-2-yl-(2-propylpyrazol-3-yl)methanone

oxan-2-yl-(2-propylpyrazol-3-yl)methanone (PubChem CID 114972338) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is oxan-2-yl-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Nameoxan-2-yl-(2-propylpyrazol-3-yl)methanone
PubChem CID114972338
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameoxan-2-yl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CCCCO1
InChIInChI=1S/C12H18N2O2/c1-2-8-14-10(6-7-13-14)12(15)11-5-3-4-9-16-11/h6-7,11H,2-5,8-9H2,1H3
InChIKeyDWXRVXWFNCHOGQ-UHFFFAOYSA-N
XLogP2.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 79077309
7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
CID 114972299
morpholin-2-yl-(2-propylpyrazol-3-yl)methanone
CID 116561656
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319
(4-bromo-1-propylpyrazol-5-yl)-(oxan-2-yl)methanone
CID 115804718
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 79087928
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285
(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 65424270
2-propylpyrazole-3-carboxylic acid
CID 7017775
(3-methyltriazol-4-yl)-(oxan-2-yl)methanone
CID 115806840

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of oxan-2-yl-(2-propylpyrazol-3-yl)methanone (CID 114972338) is oxan-2-yl-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for oxan-2-yl-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for oxan-2-yl-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1CCCCO1.
What is the InChIKey of oxan-2-yl-(2-propylpyrazol-3-yl)methanone?
The InChIKey is DWXRVXWFNCHOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-8-14-10(6-7-13-14)12(15)11-5-3-4-9-16-11/h6-7,11H,2-5,8-9H2,1H3.
What are the key properties of oxan-2-yl-(2-propylpyrazol-3-yl)methanone?
oxan-2-yl-(2-propylpyrazol-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).