1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol

C14H12ClF3N2O — CID 154031721

IUPAC1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Cl)cc1-n1ccc(C2CC2)n1)C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O/c15-9-3-4-10(13(21)14(16,17)18)12(7-9)20-6-5-11(19-20)8-1-2-8/h3-8,13,21H,1-2H2
InChIKeyOSVLIDHMMXBSMK-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.00
Rot. Bonds3

About 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol

1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol (PubChem CID 154031721) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol
PubChem CID154031721
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Cl)cc1-n1ccc(C2CC2)n1)C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O/c15-9-3-4-10(13(21)14(16,17)18)12(7-9)20-6-5-11(19-20)8-1-2-8/h3-8,13,21H,1-2H2
InChIKeyOSVLIDHMMXBSMK-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol (CID 154031721) is 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol is OC(c1ccc(Cl)cc1-n1ccc(C2CC2)n1)C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol?
The InChIKey is OSVLIDHMMXBSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-9-3-4-10(13(21)14(16,17)18)12(7-9)20-6-5-11(19-20)8-1-2-8/h3-8,13,21H,1-2H2.
What are the key properties of 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol?
1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol has a molecular weight of 316.71 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 154031721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).