3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol

C17H18N2O — CID 103006025

IUPAC3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
SMILESCn1nccc1CCC(O)c1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c1-19-14(11-12-18-19)9-10-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11-12,17,20H,9-10H2,1H3
InChIKeyRROMNXWBPTUEGZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.24
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol

3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol (PubChem CID 103006025) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
PubChem CID103006025
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
SMILESCn1nccc1CCC(O)c1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c1-19-14(11-12-18-19)9-10-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11-12,17,20H,9-10H2,1H3
InChIKeyRROMNXWBPTUEGZ-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006706
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006766
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 114033904
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
1-(2-methoxy-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 106790862
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol (CID 103006025) is 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol is Cn1nccc1CCC(O)c1cccc2ccccc12.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol?
The InChIKey is RROMNXWBPTUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19-14(11-12-18-19)9-10-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11-12,17,20H,9-10H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol?
3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 103006025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).