7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile

C14H13N3O — CID 175970670

IUPAC7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile
SMILESN#Cc1n[nH]c2c1C(c1ccccc1)CCC2O
InChIInChI=1S/C14H13N3O/c15-8-11-13-10(9-4-2-1-3-5-9)6-7-12(18)14(13)17-16-11/h1-5,10,12,18H,6-7H2,(H,16,17)
InChIKeyWQKFXNBMAIRWQD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds1

About 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile

7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile (PubChem CID 175970670) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile
PubChem CID175970670
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile
SMILESN#Cc1n[nH]c2c1C(c1ccccc1)CCC2O
InChIInChI=1S/C14H13N3O/c15-8-11-13-10(9-4-2-1-3-5-9)6-7-12(18)14(13)17-16-11/h1-5,10,12,18H,6-7H2,(H,16,17)
InChIKeyWQKFXNBMAIRWQD-UHFFFAOYSA-N
XLogP2.24
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile?
The IUPAC name of 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile (CID 175970670) is 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile?
The canonical SMILES for 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile is N#Cc1n[nH]c2c1C(c1ccccc1)CCC2O.
What is the InChIKey of 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile?
The InChIKey is WQKFXNBMAIRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-8-11-13-10(9-4-2-1-3-5-9)6-7-12(18)14(13)17-16-11/h1-5,10,12,18H,6-7H2,(H,16,17).
What are the key properties of 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile?
7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile is sourced from PubChem (CID 175970670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).