2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol

C11H7ClF4N2O — CID 174409430

IUPAC2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)cc1C(F)(F)F
InChIInChI=1S/C11H7ClF4N2O/c1-18-10(11(14,15)16)4-8(17-18)5-2-9(19)6(12)3-7(5)13/h2-4,19H,1H3
InChIKeyPDVQJTKHWGPWCG-UHFFFAOYSA-N
MW294.64 g/mol
LogP3.60
Rot. Bonds1

About 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol

2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (PubChem CID 174409430) has the molecular formula C11H7ClF4N2O and a molecular weight of 294.64 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
PubChem CID174409430
Molecular FormulaC11H7ClF4N2O
Molecular Weight294.64 g/mol
Exact Mass294.02
IUPAC Name2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)cc1C(F)(F)F
InChIInChI=1S/C11H7ClF4N2O/c1-18-10(11(14,15)16)4-8(17-18)5-2-9(19)6(12)3-7(5)13/h2-4,19H,1H3
InChIKeyPDVQJTKHWGPWCG-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.64
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The IUPAC name of 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (CID 174409430) is 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is Cn1nc(-c2cc(O)c(Cl)cc2F)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The InChIKey is PDVQJTKHWGPWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N2O/c1-18-10(11(14,15)16)4-8(17-18)5-2-9(19)6(12)3-7(5)13/h2-4,19H,1H3.
What are the key properties of 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol has a molecular weight of 294.64 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 174409430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).