2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C16H25N3O2 — CID 56824970

IUPAC2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C(=O)COC2CCCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-18-11-13(10-17-18)15-8-5-9-19(15)16(20)12-21-14-6-3-2-4-7-14/h10-11,14-15H,2-9,12H2,1H3
InChIKeyKFONOGHIEUFFIQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.43
Rot. Bonds4

About 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 56824970) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID56824970
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C(=O)COC2CCCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-18-11-13(10-17-18)15-8-5-9-19(15)16(20)12-21-14-6-3-2-4-7-14/h10-11,14-15H,2-9,12H2,1H3
InChIKeyKFONOGHIEUFFIQ-UHFFFAOYSA-N
XLogP2.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 56824970) is 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cn1cc(C2CCCN2C(=O)COC2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is KFONOGHIEUFFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-11-13(10-17-18)15-8-5-9-19(15)16(20)12-21-14-6-3-2-4-7-14/h10-11,14-15H,2-9,12H2,1H3.
What are the key properties of 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56824970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).