(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide

C16H20N4O — CID 119326065

IUPAC(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C16H20N4O/c17-13(9-11-5-2-1-3-6-11)16(21)19-14-8-4-7-12-10-18-20-15(12)14/h1-3,5-6,10,13-14H,4,7-9,17H2,(H,18,20)(H,19,21)/t13-,14?/m0/s1
InChIKeySVDUDJHZLPSGBR-LSLKUGRBSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds4

About (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide

(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide (PubChem CID 119326065) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
PubChem CID119326065
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C16H20N4O/c17-13(9-11-5-2-1-3-6-11)16(21)19-14-8-4-7-12-10-18-20-15(12)14/h1-3,5-6,10,13-14H,4,7-9,17H2,(H,18,20)(H,19,21)/t13-,14?/m0/s1
InChIKeySVDUDJHZLPSGBR-LSLKUGRBSA-N
XLogP1.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
CID 119787817
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid
CID 122032052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide (CID 119326065) is (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide is N[C@@H](Cc1ccccc1)C(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide?
The InChIKey is SVDUDJHZLPSGBR-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H20N4O/c17-13(9-11-5-2-1-3-6-11)16(21)19-14-8-4-7-12-10-18-20-15(12)14/h1-3,5-6,10,13-14H,4,7-9,17H2,(H,18,20)(H,19,21)/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide?
(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide is sourced from PubChem (CID 119326065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).