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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
CID 83147790
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine
CID 83160038
3-amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899899
5-[2,2-bis(bromomethyl)butyl]-1,3-diethylpyrazole
CID 79455390
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566711
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
CID 107383499
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715
2-(bromomethyl)-1-[(1,3-diethylpyrazol-5-yl)methyl]azepane
CID 116638458
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272

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).