N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide

C16H13ClN4O3 — CID 4793745

IUPACN'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13ClN4O3/c1-24-13-7-6-9(17)8-11(13)15(22)20-21-16(23)14-10-4-2-3-5-12(10)18-19-14/h2-8H,1H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyRMIDOASKOWUGEB-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.30
Rot. Bonds3

About N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide

N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide (PubChem CID 4793745) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide
PubChem CID4793745
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13ClN4O3/c1-24-13-7-6-9(17)8-11(13)15(22)20-21-16(23)14-10-4-2-3-5-12(10)18-19-14/h2-8H,1H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyRMIDOASKOWUGEB-UHFFFAOYSA-N
XLogP2.30
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide (CID 4793745) is N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide?
The InChIKey is RMIDOASKOWUGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-24-13-7-6-9(17)8-11(13)15(22)20-21-16(23)14-10-4-2-3-5-12(10)18-19-14/h2-8H,1H3,(H,18,19)(H,20,22)(H,21,23).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide has a molecular weight of 344.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 4793745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).