2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol

C16H28ClN3O — CID 79063068

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
SMILESCc1nn(C)c(CC(O)C2(N(C)C)CCCC(C)C2)c1Cl
InChIInChI=1S/C16H28ClN3O/c1-11-7-6-8-16(10-11,19(3)4)14(21)9-13-15(17)12(2)18-20(13)5/h11,14,21H,6-10H2,1-5H3
InChIKeyPWOZZJPZIYXIMV-UHFFFAOYSA-N
MW313.87 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol (PubChem CID 79063068) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
PubChem CID79063068
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
SMILESCc1nn(C)c(CC(O)C2(N(C)C)CCCC(C)C2)c1Cl
InChIInChI=1S/C16H28ClN3O/c1-11-7-6-8-16(10-11,19(3)4)14(21)9-13-15(17)12(2)18-20(13)5/h11,14,21H,6-10H2,1-5H3
InChIKeyPWOZZJPZIYXIMV-UHFFFAOYSA-N
XLogP2.80
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062584
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066422
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
1-[1-(dimethylamino)-3-methylcyclohexyl]oct-7-en-1-ol
CID 107008628
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol
CID 79074822
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol (CID 79063068) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol is Cc1nn(C)c(CC(O)C2(N(C)C)CCCC(C)C2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
The InChIKey is PWOZZJPZIYXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-11-7-6-8-16(10-11,19(3)4)14(21)9-13-15(17)12(2)18-20(13)5/h11,14,21H,6-10H2,1-5H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol has a molecular weight of 313.87 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol is sourced from PubChem (CID 79063068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).