N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide

C18H18N4O5 — CID 9073744

IUPACN'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H18N4O5/c1-25-13-8-10(9-14(26-2)16(13)27-3)17(23)21-22-18(24)15-11-6-4-5-7-12(11)19-20-15/h4-9H,1-3H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyYFNOKHXIZVRVBR-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.66
Rot. Bonds5

About N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide

N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide (PubChem CID 9073744) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide
PubChem CID9073744
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H18N4O5/c1-25-13-8-10(9-14(26-2)16(13)27-3)17(23)21-22-18(24)15-11-6-4-5-7-12(11)19-20-15/h4-9H,1-3H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyYFNOKHXIZVRVBR-UHFFFAOYSA-N
XLogP1.66
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide (CID 9073744) is N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide?
The InChIKey is YFNOKHXIZVRVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-25-13-8-10(9-14(26-2)16(13)27-3)17(23)21-22-18(24)15-11-6-4-5-7-12(11)19-20-15/h4-9H,1-3H3,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide?
N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide has a molecular weight of 370.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4,5-trimethoxybenzoyl)-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 9073744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).