3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide

C17H17N5O3 — CID 70920294

IUPAC3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide
SMILESNc1n[nH]c2ccc(C(=O)NNC(=O)C[C@@H](O)c3ccccc3)cc12
InChIInChI=1S/C17H17N5O3/c18-16-12-8-11(6-7-13(12)19-21-16)17(25)22-20-15(24)9-14(23)10-4-2-1-3-5-10/h1-8,14,23H,9H2,(H,20,24)(H,22,25)(H3,18,19,21)/t14-/m1/s1
InChIKeyPBGDPGJKRXMIKR-CQSZACIVSA-N
MW339.36 g/mol
LogP1.03
Rot. Bonds4

About 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide

3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide (PubChem CID 70920294) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide.

Molecular Properties

Compound Name3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide
PubChem CID70920294
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide
SMILESNc1n[nH]c2ccc(C(=O)NNC(=O)C[C@@H](O)c3ccccc3)cc12
InChIInChI=1S/C17H17N5O3/c18-16-12-8-11(6-7-13(12)19-21-16)17(25)22-20-15(24)9-14(23)10-4-2-1-3-5-10/h1-8,14,23H,9H2,(H,20,24)(H,22,25)(H3,18,19,21)/t14-/m1/s1
InChIKeyPBGDPGJKRXMIKR-CQSZACIVSA-N
XLogP1.03
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide?
The IUPAC name of 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide (CID 70920294) is 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide.
What is the SMILES notation for 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide?
The canonical SMILES for 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide is Nc1n[nH]c2ccc(C(=O)NNC(=O)C[C@@H](O)c3ccccc3)cc12.
What is the InChIKey of 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide?
The InChIKey is PBGDPGJKRXMIKR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-16-12-8-11(6-7-13(12)19-21-16)17(25)22-20-15(24)9-14(23)10-4-2-1-3-5-10/h1-8,14,23H,9H2,(H,20,24)(H,22,25)(H3,18,19,21)/t14-/m1/s1.
What are the key properties of 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide?
3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide has a molecular weight of 339.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[(3R)-3-hydroxy-3-phenylpropanoyl]-1H-indazole-5-carbohydrazide is sourced from PubChem (CID 70920294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).