3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol

C16H21N3O — CID 82591186

IUPAC3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol
SMILESNCc1nn(CCc2ccccc2)c2c1C(O)CCC2
InChIInChI=1S/C16H21N3O/c17-11-13-16-14(7-4-8-15(16)20)19(18-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,15,20H,4,7-11,17H2
InChIKeyZRYUNOUXRVCXCQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds4

About 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol

3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 82591186) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID82591186
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol
SMILESNCc1nn(CCc2ccccc2)c2c1C(O)CCC2
InChIInChI=1S/C16H21N3O/c17-11-13-16-14(7-4-8-15(16)20)19(18-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,15,20H,4,7-11,17H2
InChIKeyZRYUNOUXRVCXCQ-UHFFFAOYSA-N
XLogP1.95
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590693
2-(4-amino-3-benzyl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile
CID 82592133
3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587563
4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indazole-3-carbonitrile
CID 82591124
[4-(furan-2-yl)-1-(2-phenylethyl)indazol-3-yl]methanamine
CID 175234535
3-(4-amino-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)propanenitrile
CID 82592446
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26215389
(2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 11106441
5-(cyclohexylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162719
[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015702

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol (CID 82591186) is 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol is NCc1nn(CCc2ccccc2)c2c1C(O)CCC2.
What is the InChIKey of 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is ZRYUNOUXRVCXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-11-13-16-14(7-4-8-15(16)20)19(18-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,15,20H,4,7-11,17H2.
What are the key properties of 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol?
3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 271.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 82591186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).