2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol

C14H21ClN4O — CID 83091797

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cn(C)nc2C)c1Cl
InChIInChI=1S/C14H21ClN4O/c1-5-11-14(15)12(19(6-2)17-11)7-13(20)10-8-18(4)16-9(10)3/h8,13,20H,5-7H2,1-4H3
InChIKeyHDCQGNKARRELEE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.44
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 83091797) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID83091797
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cn(C)nc2C)c1Cl
InChIInChI=1S/C14H21ClN4O/c1-5-11-14(15)12(19(6-2)17-11)7-13(20)10-8-18(4)16-9(10)3/h8,13,20H,5-7H2,1-4H3
InChIKeyHDCQGNKARRELEE-UHFFFAOYSA-N
XLogP2.44
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572643
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1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
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1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216924
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 81432213
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105107301
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 115813255
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol (CID 83091797) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol is CCc1nn(CC)c(CC(O)c2cn(C)nc2C)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is HDCQGNKARRELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-5-11-14(15)12(19(6-2)17-11)7-13(20)10-8-18(4)16-9(10)3/h8,13,20H,5-7H2,1-4H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 296.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 83091797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).