(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone

C17H28N2O2 — CID 116750146

IUPAC(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O2/c1-5-13-19-14(7-12-18-19)15(20)17(21-6-2)10-8-16(3,4)9-11-17/h7,12H,5-6,8-11,13H2,1-4H3
InChIKeyBIXCEIPAWBRLSX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.85
Rot. Bonds6

About (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone

(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 116750146) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
PubChem CID116750146
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O2/c1-5-13-19-14(7-12-18-19)15(20)17(21-6-2)10-8-16(3,4)9-11-17/h7,12H,5-6,8-11,13H2,1-4H3
InChIKeyBIXCEIPAWBRLSX-UHFFFAOYSA-N
XLogP3.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone (CID 116750146) is (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1(OCC)CCC(C)(C)CC1.
What is the InChIKey of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is BIXCEIPAWBRLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-13-19-14(7-12-18-19)15(20)17(21-6-2)10-8-16(3,4)9-11-17/h7,12H,5-6,8-11,13H2,1-4H3.
What are the key properties of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 292.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 116750146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).