5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C24H14Cl2F6N2O2 — CID 137183413

About 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183413) has the molecular formula C24H14Cl2F6N2O2 and a molecular weight of 547.28 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
• PubChem CID: 137183413
• Molecular Formula: C24H14Cl2F6N2O2
• Molecular Weight: 547.28 g/mol
• Exact Mass: 546.03
• IUPAC Name: 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
• SMILES: Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(C(F)(F)F)c(Cl)c1
• InChI: InChI=1S/C24H14Cl2F6N2O2/c25-14-4-1-12(2-5-14)11-36-15-6-7-16(19(35)10-15)21-20(22(34-33-21)24(30,31)32)13-3-8-17(18(26)9-13)23(27,28)29/h1-10,35H,11H2,(H,33,34)
• InChIKey: HTCYQMNTRZRPPB-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 58.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.28
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183413) is 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(C(F)(F)F)c(Cl)c1.

What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

The InChIKey is HTCYQMNTRZRPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F6N2O2/c25-14-4-1-12(2-5-14)11-36-15-6-7-16(19(35)10-15)21-20(22(34-33-21)24(30,31)32)13-3-8-17(18(26)9-13)23(27,28)29/h1-10,35H,11H2,(H,33,34).

What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 547.28 g/mol, XLogP of 8.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).