azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

C15H25N3O — CID 70749155

IUPACazocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCCCCC2)n(C)n1
InChIInChI=1S/C15H25N3O/c1-12(2)13-11-14(17(3)16-13)15(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3
InChIKeyWMIDTGLLDGLBSR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds2

About azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 70749155) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID70749155
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Nameazocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCCCCC2)n(C)n1
InChIInChI=1S/C15H25N3O/c1-12(2)13-11-14(17(3)16-13)15(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3
InChIKeyWMIDTGLLDGLBSR-UHFFFAOYSA-N
XLogP2.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 70749155) is azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCCCCCC2)n(C)n1.
What is the InChIKey of azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is WMIDTGLLDGLBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)13-11-14(17(3)16-13)15(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3.
What are the key properties of azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 70749155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).