5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile

C8H9N3O — CID 83854576

IUPAC5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
SMILESCn1nc(C#N)c2c1CC(O)C2
InChIInChI=1S/C8H9N3O/c1-11-8-3-5(12)2-6(8)7(4-9)10-11/h5,12H,2-3H2,1H3
InChIKeyMXLRBKNDOBKJBR-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.25
Rot. Bonds

About 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile

5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile (PubChem CID 83854576) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
PubChem CID83854576
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
SMILESCn1nc(C#N)c2c1CC(O)C2
InChIInChI=1S/C8H9N3O/c1-11-8-3-5(12)2-6(8)7(4-9)10-11/h5,12H,2-3H2,1H3
InChIKeyMXLRBKNDOBKJBR-UHFFFAOYSA-N
XLogP-0.25
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
The IUPAC name of 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile (CID 83854576) is 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile.
What is the SMILES notation for 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
The canonical SMILES for 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile is Cn1nc(C#N)c2c1CC(O)C2.
What is the InChIKey of 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
The InChIKey is MXLRBKNDOBKJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-8-3-5(12)2-6(8)7(4-9)10-11/h5,12H,2-3H2,1H3.
What are the key properties of 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile?
5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile is sourced from PubChem (CID 83854576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).