1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol

C12H21ClN2O2 — CID 116711010

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H21ClN2O2/c1-5-11(17-6-2)10(16)7-9-8(3)14-15(4)12(9)13/h10-11,16H,5-7H2,1-4H3
InChIKeyGTWQSUJTYAPDHS-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.10
Rot. Bonds6

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol (PubChem CID 116711010) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol
PubChem CID116711010
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol
SMILESCCOC(CC)C(O)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H21ClN2O2/c1-5-11(17-6-2)10(16)7-9-8(3)14-15(4)12(9)13/h10-11,16H,5-7H2,1-4H3
InChIKeyGTWQSUJTYAPDHS-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116716017
5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
CID 60796732
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-N-methylpentan-2-amine
CID 105035069
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105180273
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
CID 115832460
1-(2-adamantyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832340
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760899
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol (CID 116711010) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol is CCOC(CC)C(O)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol?
The InChIKey is GTWQSUJTYAPDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-5-11(17-6-2)10(16)7-9-8(3)14-15(4)12(9)13/h10-11,16H,5-7H2,1-4H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol has a molecular weight of 260.76 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol is sourced from PubChem (CID 116711010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).