(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol

C15H14N2O — CID 84617838

IUPAC(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol
SMILESCc1nn(-c2cccc3ccccc23)cc1CO
InChIInChI=1S/C15H14N2O/c1-11-13(10-18)9-17(16-11)15-8-4-6-12-5-2-3-7-14(12)15/h2-9,18H,10H2,1H3
InChIKeyDETLXOHWURBQRP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.83
Rot. Bonds2

About (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol

(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol (PubChem CID 84617838) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol
PubChem CID84617838
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol
SMILESCc1nn(-c2cccc3ccccc23)cc1CO
InChIInChI=1S/C15H14N2O/c1-11-13(10-18)9-17(16-11)15-8-4-6-12-5-2-3-7-14(12)15/h2-9,18H,10H2,1H3
InChIKeyDETLXOHWURBQRP-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol?
The IUPAC name of (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol (CID 84617838) is (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol?
The canonical SMILES for (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol is Cc1nn(-c2cccc3ccccc23)cc1CO.
What is the InChIKey of (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol?
The InChIKey is DETLXOHWURBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-13(10-18)9-17(16-11)15-8-4-6-12-5-2-3-7-14(12)15/h2-9,18H,10H2,1H3.
What are the key properties of (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol?
(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol has a molecular weight of 238.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 84617838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).