5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide

C9H10N4O2 — CID 3259634

IUPAC5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C9H10N4O2/c10-12-9(14)8-3-2-7(15-8)6-13-5-1-4-11-13/h1-5H,6,10H2,(H,12,14)
InChIKeyKRYLHKLNUXTQJT-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.13
Rot. Bonds3

About 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide

5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide (PubChem CID 3259634) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide
PubChem CID3259634
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C9H10N4O2/c10-12-9(14)8-3-2-7(15-8)6-13-5-1-4-11-13/h1-5H,6,10H2,(H,12,14)
InChIKeyKRYLHKLNUXTQJT-UHFFFAOYSA-N
XLogP0.13
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.13
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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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide?
The IUPAC name of 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide (CID 3259634) is 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide is NNC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide?
The InChIKey is KRYLHKLNUXTQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-12-9(14)8-3-2-7(15-8)6-13-5-1-4-11-13/h1-5H,6,10H2,(H,12,14).
What are the key properties of 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide?
5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide has a molecular weight of 206.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 3259634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).