5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide

C14H14N4O2 — CID 63578155

IUPAC5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2ncc3ccccc32)cc1C(=O)NN
InChIInChI=1S/C14H14N4O2/c1-9-12(14(19)17-15)6-11(20-9)8-18-13-5-3-2-4-10(13)7-16-18/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyAXUAGWXOILIULQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.59
Rot. Bonds3

About 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide

5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide (PubChem CID 63578155) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide
PubChem CID63578155
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2ncc3ccccc32)cc1C(=O)NN
InChIInChI=1S/C14H14N4O2/c1-9-12(14(19)17-15)6-11(20-9)8-18-13-5-3-2-4-10(13)7-16-18/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyAXUAGWXOILIULQ-UHFFFAOYSA-N
XLogP1.59
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578350
[5-(indazol-1-ylmethyl)furan-2-yl]methanol
CID 113372439
5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 82699513
N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62448827
5-(indazol-1-ylmethyl)furan-3-carboxylic acid
CID 62267281
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581489
5-[(6-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide
CID 63569939
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508

Frequently Asked Questions

What is the IUPAC name of 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide (CID 63578155) is 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide is Cc1oc(Cn2ncc3ccccc32)cc1C(=O)NN.
What is the InChIKey of 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is AXUAGWXOILIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-12(14(19)17-15)6-11(20-9)8-18-13-5-3-2-4-10(13)7-16-18/h2-7H,8,15H2,1H3,(H,17,19).
What are the key properties of 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 270.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63578155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).