5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol

C9H9N3O — CID 175705543

IUPAC5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol
SMILES[2H]C([2H])([2H])n1cc(-c2cncc(O)c2)cn1
InChIInChI=1S/C9H9N3O/c1-12-6-8(4-11-12)7-2-9(13)5-10-3-7/h2-6,13H,1H3/i1D3
InChIKeyKAWXRVPGHUPXQW-FIBGUPNXSA-N
MW178.21 g/mol
LogP1.19
Rot. Bonds2

About 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol

5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol (PubChem CID 175705543) has the molecular formula C9H9N3O and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol
PubChem CID175705543
Molecular FormulaC9H9N3O
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol
SMILES[2H]C([2H])([2H])n1cc(-c2cncc(O)c2)cn1
InChIInChI=1S/C9H9N3O/c1-12-6-8(4-11-12)7-2-9(13)5-10-3-7/h2-6,13H,1H3/i1D3
InChIKeyKAWXRVPGHUPXQW-FIBGUPNXSA-N
XLogP1.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol?
The IUPAC name of 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol (CID 175705543) is 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol.
What is the SMILES notation for 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol?
The canonical SMILES for 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol is [2H]C([2H])([2H])n1cc(-c2cncc(O)c2)cn1.
What is the InChIKey of 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol?
The InChIKey is KAWXRVPGHUPXQW-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-6-8(4-11-12)7-2-9(13)5-10-3-7/h2-6,13H,1H3/i1D3.
What are the key properties of 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol?
5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol has a molecular weight of 178.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol is sourced from PubChem (CID 175705543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).