2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol

C21H15F3N2O — CID 135465502

IUPAC2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N2O/c1-13-12-18(16-11-10-14-6-2-3-7-15(14)20(16)27)25-26(13)19-9-5-4-8-17(19)21(22,23)24/h2-12,27H,1H3
InChIKeyCOHAXPLIFQTMKC-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.73
Rot. Bonds2

About 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol

2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol (PubChem CID 135465502) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol
PubChem CID135465502
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N2O/c1-13-12-18(16-11-10-14-6-2-3-7-15(14)20(16)27)25-26(13)19-9-5-4-8-17(19)21(22,23)24/h2-12,27H,1H3
InChIKeyCOHAXPLIFQTMKC-UHFFFAOYSA-N
XLogP5.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol (CID 135465502) is 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol is Cc1cc(-c2ccc3ccccc3c2O)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol?
The InChIKey is COHAXPLIFQTMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/c1-13-12-18(16-11-10-14-6-2-3-7-15(14)20(16)27)25-26(13)19-9-5-4-8-17(19)21(22,23)24/h2-12,27H,1H3.
What are the key properties of 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol?
2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol has a molecular weight of 368.36 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 135465502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).