(5-pyrazol-1-ylnaphthalen-2-yl)methanol

C14H12N2O — CID 171090659

IUPAC(5-pyrazol-1-ylnaphthalen-2-yl)methanol
SMILESOCc1ccc2c(-n3cccn3)cccc2c1
InChIInChI=1S/C14H12N2O/c17-10-11-5-6-13-12(9-11)3-1-4-14(13)16-8-2-7-15-16/h1-9,17H,10H2
InChIKeyXVGSWKYFYBYWFS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.52
Rot. Bonds2

About (5-pyrazol-1-ylnaphthalen-2-yl)methanol

(5-pyrazol-1-ylnaphthalen-2-yl)methanol (PubChem CID 171090659) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (5-pyrazol-1-ylnaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(5-pyrazol-1-ylnaphthalen-2-yl)methanol
PubChem CID171090659
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(5-pyrazol-1-ylnaphthalen-2-yl)methanol
SMILESOCc1ccc2c(-n3cccn3)cccc2c1
InChIInChI=1S/C14H12N2O/c17-10-11-5-6-13-12(9-11)3-1-4-14(13)16-8-2-7-15-16/h1-9,17H,10H2
InChIKeyXVGSWKYFYBYWFS-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134191526
(1-methylisoquinolin-6-yl)methanol
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3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol
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6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
1-(2,3-dimethoxyphenyl)pyrazole
CID 90873377
2-fluoro-6-pyrazol-1-ylaniline
CID 50989643
[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
CID 110006014
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
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CID 138713680

Frequently Asked Questions

What is the IUPAC name of (5-pyrazol-1-ylnaphthalen-2-yl)methanol?
The IUPAC name of (5-pyrazol-1-ylnaphthalen-2-yl)methanol (CID 171090659) is (5-pyrazol-1-ylnaphthalen-2-yl)methanol.
What is the SMILES notation for (5-pyrazol-1-ylnaphthalen-2-yl)methanol?
The canonical SMILES for (5-pyrazol-1-ylnaphthalen-2-yl)methanol is OCc1ccc2c(-n3cccn3)cccc2c1.
What is the InChIKey of (5-pyrazol-1-ylnaphthalen-2-yl)methanol?
The InChIKey is XVGSWKYFYBYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-10-11-5-6-13-12(9-11)3-1-4-14(13)16-8-2-7-15-16/h1-9,17H,10H2.
What are the key properties of (5-pyrazol-1-ylnaphthalen-2-yl)methanol?
(5-pyrazol-1-ylnaphthalen-2-yl)methanol has a molecular weight of 224.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyrazol-1-ylnaphthalen-2-yl)methanol is sourced from PubChem (CID 171090659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).