2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone

C15H24N2O2 — CID 116750961

IUPAC2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)C(OC)C2CCCCC2)cn1
InChIInChI=1S/C15H24N2O2/c1-3-9-17-11-13(10-16-17)14(18)15(19-2)12-7-5-4-6-8-12/h10-12,15H,3-9H2,1-2H3
InChIKeyXSFBHCKYYCUTDS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.07
Rot. Bonds6

About 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone

2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone (PubChem CID 116750961) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone
PubChem CID116750961
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)C(OC)C2CCCCC2)cn1
InChIInChI=1S/C15H24N2O2/c1-3-9-17-11-13(10-16-17)14(18)15(19-2)12-7-5-4-6-8-12/h10-12,15H,3-9H2,1-2H3
InChIKeyXSFBHCKYYCUTDS-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone (CID 116750961) is 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone is CCCn1cc(C(=O)C(OC)C2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone?
The InChIKey is XSFBHCKYYCUTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-9-17-11-13(10-16-17)14(18)15(19-2)12-7-5-4-6-8-12/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone?
2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116750961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).