[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol

C16H13F3N2O — CID 102385478

IUPAC[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol
SMILESCn1ncc(C(F)(F)F)c1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H13F3N2O/c1-21-14(13(9-20-21)16(17,18)19)15(22)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,15,22H,1H3
InChIKeyAKYGTYCTPZQOHY-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.67
Rot. Bonds2

About [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol

[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol (PubChem CID 102385478) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol
PubChem CID102385478
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol
SMILESCn1ncc(C(F)(F)F)c1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H13F3N2O/c1-21-14(13(9-20-21)16(17,18)19)15(22)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,15,22H,1H3
InChIKeyAKYGTYCTPZQOHY-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol?
The IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol (CID 102385478) is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol.
What is the SMILES notation for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol?
The canonical SMILES for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol is Cn1ncc(C(F)(F)F)c1C(O)c1ccc2ccccc2c1.
What is the InChIKey of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol?
The InChIKey is AKYGTYCTPZQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-21-14(13(9-20-21)16(17,18)19)15(22)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,15,22H,1H3.
What are the key properties of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol?
[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol has a molecular weight of 306.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-naphthalen-2-ylmethanol is sourced from PubChem (CID 102385478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).