1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

C18H20N2O2 — CID 3152605

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H20N2O2/c1-13-9-14(2)20(19-13)11-17(21)12-22-18-8-7-15-5-3-4-6-16(15)10-18/h3-10,17,21H,11-12H2,1-2H3
InChIKeyQTJWJWWKZDWHOB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.09
Rot. Bonds5

About 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 3152605) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID3152605
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H20N2O2/c1-13-9-14(2)20(19-13)11-17(21)12-22-18-8-7-15-5-3-4-6-16(15)10-18/h3-10,17,21H,11-12H2,1-2H3
InChIKeyQTJWJWWKZDWHOB-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
1-(3,5-dimethylphenoxy)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 22331397
1-{1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethyl-1H-pyrazol-4-yl}ethanone
CID 2962051
3-(2,6-Dimethylphenoxy)-1-(3,5-dimethylpyrazolyl)propan-2-ol
CID 3133158
1-[1-(2-Hydroxy-3-naphthalen-2-yloxypropyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 2946675
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
1-(4-Tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 18560731
1-(((1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl)(methyl)amino)-3-phenoxypropan-2-ol
CID 53363341
4-(Naphthalen-2-yloxy)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549544
1-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-3-(indan-5-yloxy)-propan-2-ol
CID 2962052
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2-propanol
CID 2981604

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (CID 3152605) is 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is Cc1cc(C)n(CC(O)COc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is QTJWJWWKZDWHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-9-14(2)20(19-13)11-17(21)12-22-18-8-7-15-5-3-4-6-16(15)10-18/h3-10,17,21H,11-12H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 296.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 3152605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).