1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol

C14H17ClN2O — CID 55132278

IUPAC1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol
SMILESCC(C)c1ccn(-c2ccc(C(C)O)cc2Cl)n1
InChIInChI=1S/C14H17ClN2O/c1-9(2)13-6-7-17(16-13)14-5-4-11(10(3)18)8-12(14)15/h4-10,18H,1-3H3
InChIKeyZPXCVQFKBAZTSN-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.70
Rot. Bonds3

About 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol

1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol (PubChem CID 55132278) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol
PubChem CID55132278
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol
SMILESCC(C)c1ccn(-c2ccc(C(C)O)cc2Cl)n1
InChIInChI=1S/C14H17ClN2O/c1-9(2)13-6-7-17(16-13)14-5-4-11(10(3)18)8-12(14)15/h4-10,18H,1-3H3
InChIKeyZPXCVQFKBAZTSN-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.70
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-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol (CID 55132278) is 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol is CC(C)c1ccn(-c2ccc(C(C)O)cc2Cl)n1.
What is the InChIKey of 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is ZPXCVQFKBAZTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9(2)13-6-7-17(16-13)14-5-4-11(10(3)18)8-12(14)15/h4-10,18H,1-3H3.
What are the key properties of 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol?
1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 264.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 55132278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).