5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide

C11H14N4O2 — CID 914321

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NN)o2)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(2)15(14-7)6-9-3-4-10(17-9)11(16)13-12/h3-5H,6,12H2,1-2H3,(H,13,16)
InChIKeyMQFYPRLAKUEFFA-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.74
Rot. Bonds3

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide

5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 914321) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID914321
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NN)o2)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(2)15(14-7)6-9-3-4-10(17-9)11(16)13-12/h3-5H,6,12H2,1-2H3,(H,13,16)
InChIKeyMQFYPRLAKUEFFA-UHFFFAOYSA-N
XLogP0.74
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.74
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'}

Analyze 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide (CID 914321) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide is Cc1cc(C)n(Cc2ccc(C(=O)NN)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is MQFYPRLAKUEFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-5-8(2)15(14-7)6-9-3-4-10(17-9)11(16)13-12/h3-5H,6,12H2,1-2H3,(H,13,16).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 234.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 914321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).