(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol

C13H14N2O — CID 95165425

IUPAC(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESO[C@H]1CCCc2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C13H14N2O/c16-11-8-4-7-10-12(11)13(15-14-10)9-5-2-1-3-6-9/h1-3,5-6,11,16H,4,7-8H2,(H,14,15)/t11-/m0/s1
InChIKeyRMWMVRMNFLAFKH-NSHDSACASA-N
MW214.27 g/mol
LogP2.45
Rot. Bonds1

About (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol

(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol (PubChem CID 95165425) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol.

Molecular Properties

Compound Name(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
PubChem CID95165425
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESO[C@H]1CCCc2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C13H14N2O/c16-11-8-4-7-10-12(11)13(15-14-10)9-5-2-1-3-6-9/h1-3,5-6,11,16H,4,7-8H2,(H,14,15)/t11-/m0/s1
InChIKeyRMWMVRMNFLAFKH-NSHDSACASA-N
XLogP2.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The IUPAC name of (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol (CID 95165425) is (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol.
What is the SMILES notation for (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The canonical SMILES for (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol is O[C@H]1CCCc2[nH]nc(-c3ccccc3)c21.
What is the InChIKey of (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The InChIKey is RMWMVRMNFLAFKH-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N2O/c16-11-8-4-7-10-12(11)13(15-14-10)9-5-2-1-3-6-9/h1-3,5-6,11,16H,4,7-8H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol has a molecular weight of 214.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol is sourced from PubChem (CID 95165425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).