N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide

C15H14N4O3 — CID 4789694

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C15H14N4O3/c1-8-7-11(9(2)22-8)14(20)18-19-15(21)13-10-5-3-4-6-12(10)16-17-13/h3-7H,1-2H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyHIVTYXYPKRCEEZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.85
Rot. Bonds2

About N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide (PubChem CID 4789694) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide
PubChem CID4789694
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C15H14N4O3/c1-8-7-11(9(2)22-8)14(20)18-19-15(21)13-10-5-3-4-6-12(10)16-17-13/h3-7H,1-2H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyHIVTYXYPKRCEEZ-UHFFFAOYSA-N
XLogP1.85
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.85
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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Related Compounds

2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-(5-phenylfuran-2-carbonyl)-1H-indazole-3-carbohydrazide
CID 170858563
N'-(cyclopropanecarbonyl)-1H-indazole-3-carbohydrazide
CID 26799017
N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
CID 26021205
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 4808607
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
N,N-diethyl-2-[(1H-indazole-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 53195608
N'-(cyclohexanecarbonyl)-1H-indazole-3-carbohydrazide
CID 4787464
1-(1H-indazol-3-yl)ethanone
CID 15684169

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide (CID 4789694) is N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide?
The InChIKey is HIVTYXYPKRCEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-8-7-11(9(2)22-8)14(20)18-19-15(21)13-10-5-3-4-6-12(10)16-17-13/h3-7H,1-2H3,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide has a molecular weight of 298.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 4789694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).