4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

C14H16N2O2 — CID 63089819

IUPAC4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCn1cc(COc2cccc3c2CCC3O)cn1
InChIInChI=1S/C14H16N2O2/c1-16-8-10(7-15-16)9-18-14-4-2-3-11-12(14)5-6-13(11)17/h2-4,7-8,13,17H,5-6,9H2,1H3
InChIKeySZSZIARHQHVEGX-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.98
Rot. Bonds3

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

4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 63089819) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID63089819
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCn1cc(COc2cccc3c2CCC3O)cn1
InChIInChI=1S/C14H16N2O2/c1-16-8-10(7-15-16)9-18-14-4-2-3-11-12(14)5-6-13(11)17/h2-4,7-8,13,17H,5-6,9H2,1H3
InChIKeySZSZIARHQHVEGX-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 63089819) is 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is Cn1cc(COc2cccc3c2CCC3O)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SZSZIARHQHVEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-8-10(7-15-16)9-18-14-4-2-3-11-12(14)5-6-13(11)17/h2-4,7-8,13,17H,5-6,9H2,1H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 244.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63089819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).