oxan-4-yl-(1-propylpyrazol-4-yl)methanone

C12H18N2O2 — CID 65329426

IUPACoxan-4-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2CCOCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-2-5-14-9-11(8-13-14)12(15)10-3-6-16-7-4-10/h8-10H,2-7H2,1H3
InChIKeyNGZGLVLCJUJHMJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds4

About oxan-4-yl-(1-propylpyrazol-4-yl)methanone

oxan-4-yl-(1-propylpyrazol-4-yl)methanone (PubChem CID 65329426) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is oxan-4-yl-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(1-propylpyrazol-4-yl)methanone
PubChem CID65329426
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameoxan-4-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2CCOCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-2-5-14-9-11(8-13-14)12(15)10-3-6-16-7-4-10/h8-10H,2-7H2,1H3
InChIKeyNGZGLVLCJUJHMJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of oxan-4-yl-(1-propylpyrazol-4-yl)methanone (CID 65329426) is oxan-4-yl-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for oxan-4-yl-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for oxan-4-yl-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)C2CCOCC2)cn1.
What is the InChIKey of oxan-4-yl-(1-propylpyrazol-4-yl)methanone?
The InChIKey is NGZGLVLCJUJHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-5-14-9-11(8-13-14)12(15)10-3-6-16-7-4-10/h8-10H,2-7H2,1H3.
What are the key properties of oxan-4-yl-(1-propylpyrazol-4-yl)methanone?
oxan-4-yl-(1-propylpyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 65329426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).