1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol

C16H16N2O — CID 103138401

IUPAC1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol
SMILESCn1ccc(C(O)Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H16N2O/c1-18-9-8-15(17-18)16(19)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10,16,19H,11H2,1H3
InChIKeyDRDSCWKVFBKPTR-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.85
Rot. Bonds3

About 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol

1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol (PubChem CID 103138401) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol
PubChem CID103138401
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol
SMILESCn1ccc(C(O)Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H16N2O/c1-18-9-8-15(17-18)16(19)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10,16,19H,11H2,1H3
InChIKeyDRDSCWKVFBKPTR-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 65195148
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
CID 105117200
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959
1-naphthalen-2-yl-3-propan-2-yloxypropan-2-ol
CID 105114348
2-(2-chlorobutyl)naphthalene
CID 21490588
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 79820427
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1-(furan-2-yl)-2-naphthalen-2-ylethanol
CID 55150829
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
2-[[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245404

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol (CID 103138401) is 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol is Cn1ccc(C(O)Cc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol?
The InChIKey is DRDSCWKVFBKPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-9-8-15(17-18)16(19)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10,16,19H,11H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol?
1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol has a molecular weight of 252.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-naphthalen-2-ylethanol is sourced from PubChem (CID 103138401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).