1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide

C13H16N6O2 — CID 166309081

IUPAC1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccn(C3CCC3)n2)cn1
InChIInChI=1S/C13H16N6O2/c1-18-8-9(7-14-18)12(20)15-16-13(21)11-5-6-19(17-11)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,15,20)(H,16,21)
InChIKeyKZYOEVLIOZZUBA-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.42
Rot. Bonds3

About 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide

1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide (PubChem CID 166309081) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide
PubChem CID166309081
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccn(C3CCC3)n2)cn1
InChIInChI=1S/C13H16N6O2/c1-18-8-9(7-14-18)12(20)15-16-13(21)11-5-6-19(17-11)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,15,20)(H,16,21)
InChIKeyKZYOEVLIOZZUBA-UHFFFAOYSA-N
XLogP0.42
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-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 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide (CID 166309081) is 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2ccn(C3CCC3)n2)cn1.
What is the InChIKey of 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide?
The InChIKey is KZYOEVLIOZZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-18-8-9(7-14-18)12(20)15-16-13(21)11-5-6-19(17-11)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,15,20)(H,16,21).
What are the key properties of 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide?
1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide has a molecular weight of 288.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N'-(1-methylpyrazole-4-carbonyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 166309081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).