2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile

C13H11N3O — CID 105482916

IUPAC2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1-c1ccccc1O)CCC2
InChIInChI=1S/C13H11N3O/c14-8-12-9-4-3-5-10(9)15-16(12)11-6-1-2-7-13(11)17/h1-2,6-7,17H,3-5H2
InChIKeyADMLRAIFYZFSFV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.94
Rot. Bonds1

About 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile

2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile (PubChem CID 105482916) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
PubChem CID105482916
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1-c1ccccc1O)CCC2
InChIInChI=1S/C13H11N3O/c14-8-12-9-4-3-5-10(9)15-16(12)11-6-1-2-7-13(11)17/h1-2,6-7,17H,3-5H2
InChIKeyADMLRAIFYZFSFV-UHFFFAOYSA-N
XLogP1.94
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
The IUPAC name of 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile (CID 105482916) is 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile is N#Cc1c2c(nn1-c1ccccc1O)CCC2.
What is the InChIKey of 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
The InChIKey is ADMLRAIFYZFSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-12-9-4-3-5-10(9)15-16(12)11-6-1-2-7-13(11)17/h1-2,6-7,17H,3-5H2.
What are the key properties of 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile?
2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105482916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).