3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile

C8H11N3O — CID 131490844

IUPAC3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile
SMILESCc1cc(C(O)CC#N)nn1C
InChIInChI=1S/C8H11N3O/c1-6-5-7(10-11(6)2)8(12)3-4-9/h5,8,12H,3H2,1-2H3
InChIKeyKHGSNLZWCAAADV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.68
Rot. Bonds2

About 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile

3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile (PubChem CID 131490844) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile
PubChem CID131490844
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile
SMILESCc1cc(C(O)CC#N)nn1C
InChIInChI=1S/C8H11N3O/c1-6-5-7(10-11(6)2)8(12)3-4-9/h5,8,12H,3H2,1-2H3
InChIKeyKHGSNLZWCAAADV-UHFFFAOYSA-N
XLogP0.68
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile?
The IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile (CID 131490844) is 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile?
The canonical SMILES for 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile is Cc1cc(C(O)CC#N)nn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile?
The InChIKey is KHGSNLZWCAAADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-5-7(10-11(6)2)8(12)3-4-9/h5,8,12H,3H2,1-2H3.
What are the key properties of 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile?
3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile has a molecular weight of 165.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile is sourced from PubChem (CID 131490844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).