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

C15H23ClN4O — CID 66164228

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cncn2C(C)C)c1Cl
InChIInChI=1S/C15H23ClN4O/c1-5-11-15(16)12(20(6-2)18-11)7-14(21)13-8-17-9-19(13)10(3)4/h8-10,14,21H,5-7H2,1-4H3
InChIKeyPYUFEXLANWDNEA-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.17
Rot. Bonds6

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

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 66164228) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID66164228
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cncn2C(C)C)c1Cl
InChIInChI=1S/C15H23ClN4O/c1-5-11-15(16)12(20(6-2)18-11)7-14(21)13-8-17-9-19(13)10(3)4/h8-10,14,21H,5-7H2,1-4H3
InChIKeyPYUFEXLANWDNEA-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134956
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091797
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
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-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 81432213
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815316
5-(3-bromo-2-methyl-3-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 104846518
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylsulfinyl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (CID 66164228) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is CCc1nn(CC)c(CC(O)c2cncn2C(C)C)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is PYUFEXLANWDNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-5-11-15(16)12(20(6-2)18-11)7-14(21)13-8-17-9-19(13)10(3)4/h8-10,14,21H,5-7H2,1-4H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 310.83 g/mol, XLogP of 3.17, 6 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-(3-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 66164228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).