(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone

C16H26N2O — CID 105102372

IUPAC(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone
SMILESCCc1cc(C(=O)C2CCCCC2CC)n(CC)n1
InChIInChI=1S/C16H26N2O/c1-4-12-9-7-8-10-14(12)16(19)15-11-13(5-2)17-18(15)6-3/h11-12,14H,4-10H2,1-3H3
InChIKeyGOWKYAPVQDIQMO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.86
Rot. Bonds5

About (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone

(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone (PubChem CID 105102372) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone
PubChem CID105102372
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone
SMILESCCc1cc(C(=O)C2CCCCC2CC)n(CC)n1
InChIInChI=1S/C16H26N2O/c1-4-12-9-7-8-10-14(12)16(19)15-11-13(5-2)17-18(15)6-3/h11-12,14H,4-10H2,1-3H3
InChIKeyGOWKYAPVQDIQMO-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone (CID 105102372) is (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone is CCc1cc(C(=O)C2CCCCC2CC)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone?
The InChIKey is GOWKYAPVQDIQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12-9-7-8-10-14(12)16(19)15-11-13(5-2)17-18(15)6-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone?
(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone has a molecular weight of 262.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone is sourced from PubChem (CID 105102372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).