2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile

C10H15N3O — CID 170591875

IUPAC2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile
SMILESCC(C)n1cc(O)c(C(C)(C)C#N)n1
InChIInChI=1S/C10H15N3O/c1-7(2)13-5-8(14)9(12-13)10(3,4)6-11/h5,7,14H,1-4H3
InChIKeyVWXXALLGOZQELI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds2

About 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile

2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile (PubChem CID 170591875) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile
PubChem CID170591875
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile
SMILESCC(C)n1cc(O)c(C(C)(C)C#N)n1
InChIInChI=1S/C10H15N3O/c1-7(2)13-5-8(14)9(12-13)10(3,4)6-11/h5,7,14H,1-4H3
InChIKeyVWXXALLGOZQELI-UHFFFAOYSA-N
XLogP1.97
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile (CID 170591875) is 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile is CC(C)n1cc(O)c(C(C)(C)C#N)n1.
What is the InChIKey of 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile?
The InChIKey is VWXXALLGOZQELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)13-5-8(14)9(12-13)10(3,4)6-11/h5,7,14H,1-4H3.
What are the key properties of 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile?
2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile has a molecular weight of 193.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile is sourced from PubChem (CID 170591875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).