2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol

C16H28N2O — CID 114794994

IUPAC2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(C)(O)C2CCCCC2)n(CC)n1
InChIInChI=1S/C16H28N2O/c1-4-14-11-15(18(5-2)17-14)12-16(3,19)13-9-7-6-8-10-13/h11,13,19H,4-10,12H2,1-3H3
InChIKeyDFRXXGIQXCKWGC-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.34
Rot. Bonds5

About 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol

2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol (PubChem CID 114794994) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
PubChem CID114794994
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(C)(O)C2CCCCC2)n(CC)n1
InChIInChI=1S/C16H28N2O/c1-4-14-11-15(18(5-2)17-14)12-16(3,19)13-9-7-6-8-10-13/h11,13,19H,4-10,12H2,1-3H3
InChIKeyDFRXXGIQXCKWGC-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol (CID 114794994) is 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol is CCc1cc(CC(C)(O)C2CCCCC2)n(CC)n1.
What is the InChIKey of 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol?
The InChIKey is DFRXXGIQXCKWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-14-11-15(18(5-2)17-14)12-16(3,19)13-9-7-6-8-10-13/h11,13,19H,4-10,12H2,1-3H3.
What are the key properties of 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol?
2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 114794994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).