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

C21H15F3N2O — CID 135465491

IUPAC1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N2O/c1-13-12-17(20-15-7-3-2-6-14(15)10-11-19(20)27)25-26(13)18-9-5-4-8-16(18)21(22,23)24/h2-12,27H,1H3
InChIKeyAWQXNKXOACWECG-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.73
Rot. Bonds2

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

1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol (PubChem CID 135465491) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
PubChem CID135465491
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N2O/c1-13-12-17(20-15-7-3-2-6-14(15)10-11-19(20)27)25-26(13)18-9-5-4-8-16(18)21(22,23)24/h2-12,27H,1H3
InChIKeyAWQXNKXOACWECG-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 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol?
The IUPAC name of 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol (CID 135465491) is 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol?
The canonical SMILES for 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol is Cc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol?
The InChIKey is AWQXNKXOACWECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/c1-13-12-17(20-15-7-3-2-6-14(15)10-11-19(20)27)25-26(13)18-9-5-4-8-16(18)21(22,23)24/h2-12,27H,1H3.
What are the key properties of 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol?
1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-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 1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol is sourced from PubChem (CID 135465491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).