1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol

C11H10Cl2N2O — CID 62912532

IUPAC1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(-n2cc(Cl)cn2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3
InChIKeyCJHPEPWGYYMXSQ-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.23
Rot. Bonds2

About 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol

1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol (PubChem CID 62912532) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol
PubChem CID62912532
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(-n2cc(Cl)cn2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3
InChIKeyCJHPEPWGYYMXSQ-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol (CID 62912532) is 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol is CC(O)c1ccc(-n2cc(Cl)cn2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol?
The InChIKey is CJHPEPWGYYMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3.
What are the key properties of 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol?
1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol has a molecular weight of 257.12 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 62912532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).