4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol

C16H20N2O — CID 82870214

IUPAC4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2ccn(C)n2)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-12-7-9-16(19,11-13-8-10-18(2)17-13)15-6-4-3-5-14(12)15/h3-6,8,10,12,19H,7,9,11H2,1-2H3
InChIKeyFRPXSPLBNCYDCB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds2

About 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 82870214) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID82870214
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2ccn(C)n2)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-12-7-9-16(19,11-13-8-10-18(2)17-13)15-6-4-3-5-14(12)15/h3-6,8,10,12,19H,7,9,11H2,1-2H3
InChIKeyFRPXSPLBNCYDCB-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 82870214) is 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol is CC1CCC(O)(Cc2ccn(C)n2)c2ccccc21.
What is the InChIKey of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is FRPXSPLBNCYDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-9-16(19,11-13-8-10-18(2)17-13)15-6-4-3-5-14(12)15/h3-6,8,10,12,19H,7,9,11H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 82870214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).