(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol

C16H15BrN2O — CID 115798794

IUPAC(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-2-19-15(7-8-18-19)16(20)13-4-3-12-10-14(17)6-5-11(12)9-13/h3-10,16,20H,2H2,1H3
InChIKeyLHVDZJCUBHIMPF-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.90
Rot. Bonds3

About (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol

(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol (PubChem CID 115798794) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
PubChem CID115798794
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-2-19-15(7-8-18-19)16(20)13-4-3-12-10-14(17)6-5-11(12)9-13/h3-10,16,20H,2H2,1H3
InChIKeyLHVDZJCUBHIMPF-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
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(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
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(2-ethylpyrazol-3-yl)-(3-fluorophenyl)methanol
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(3-ethylphenyl)-(2-ethylpyrazol-3-yl)methanol
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(2-ethylpyrazol-3-yl)-(4-propylphenyl)methanol
CID 114556918
(2-ethylpyrazol-3-yl)-quinolin-3-ylmethanol
CID 114556793
(4,5-dibromofuran-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63975471
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
CID 63976111
(5-bromofuran-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63976104
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol (CID 115798794) is (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is LHVDZJCUBHIMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-2-19-15(7-8-18-19)16(20)13-4-3-12-10-14(17)6-5-11(12)9-13/h3-10,16,20H,2H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 331.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 115798794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).