[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol

C16H19N3O2 — CID 118963331

IUPAC[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol
SMILESCOC(O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1
InChIInChI=1S/C16H19N3O2/c1-11-6-13-7-12(4-5-15(13)18(11)2)9-19-10-14(8-17-19)16(20)21-3/h4-8,10,16,20H,9H2,1-3H3
InChIKeyJZNFFVYEQMKNGV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds4

About [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol

[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol (PubChem CID 118963331) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol.

Molecular Properties

Compound Name[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol
PubChem CID118963331
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol
SMILESCOC(O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1
InChIInChI=1S/C16H19N3O2/c1-11-6-13-7-12(4-5-15(13)18(11)2)9-19-10-14(8-17-19)16(20)21-3/h4-8,10,16,20H,9H2,1-3H3
InChIKeyJZNFFVYEQMKNGV-UHFFFAOYSA-N
XLogP2.37
TPSA52.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol?
The IUPAC name of [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol (CID 118963331) is [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol.
What is the SMILES notation for [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol?
The canonical SMILES for [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol is COC(O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.
What is the InChIKey of [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol?
The InChIKey is JZNFFVYEQMKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-6-13-7-12(4-5-15(13)18(11)2)9-19-10-14(8-17-19)16(20)21-3/h4-8,10,16,20H,9H2,1-3H3.
What are the key properties of [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol?
[1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol has a molecular weight of 285.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,2-dimethylindol-5-yl)methyl]pyrazol-4-yl]-methoxymethanol is sourced from PubChem (CID 118963331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).