[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate

C19H25N3O2 — CID 97255820

IUPAC[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
SMILESCCN(CC)c1ccccc1COC(=O)[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C19H25N3O2/c1-3-22(4-2)18-8-6-5-7-16(18)13-24-19(23)14-9-10-15-12-20-21-17(15)11-14/h5-8,12,14H,3-4,9-11,13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyDWOFGTKYJIGCFX-AWEZNQCLSA-N
MW327.43 g/mol
LogP3.10
Rot. Bonds6

About [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate

[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate (PubChem CID 97255820) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
PubChem CID97255820
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
SMILESCCN(CC)c1ccccc1COC(=O)[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C19H25N3O2/c1-3-22(4-2)18-8-6-5-7-16(18)13-24-19(23)14-9-10-15-12-20-21-17(15)11-14/h5-8,12,14H,3-4,9-11,13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyDWOFGTKYJIGCFX-AWEZNQCLSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate?
The IUPAC name of [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate (CID 97255820) is [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate.
What is the SMILES notation for [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate?
The canonical SMILES for [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate is CCN(CC)c1ccccc1COC(=O)[C@H]1CCc2cn[nH]c2C1.
What is the InChIKey of [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate?
The InChIKey is DWOFGTKYJIGCFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-22(4-2)18-8-6-5-7-16(18)13-24-19(23)14-9-10-15-12-20-21-17(15)11-14/h5-8,12,14H,3-4,9-11,13H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate?
[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate is sourced from PubChem (CID 97255820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).