2-(3-methylpyrazol-1-yl)propanehydrazide

C7H12N4O — CID 17024628

IUPAC2-(3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1ccn(C(C)C(=O)NN)n1
InChIInChI=1S/C7H12N4O/c1-5-3-4-11(10-5)6(2)7(12)9-8/h3-4,6H,8H2,1-2H3,(H,9,12)
InChIKeyJSANMJHDZZLMHH-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.26
Rot. Bonds2

About 2-(3-methylpyrazol-1-yl)propanehydrazide

2-(3-methylpyrazol-1-yl)propanehydrazide (PubChem CID 17024628) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)propanehydrazide
PubChem CID17024628
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1ccn(C(C)C(=O)NN)n1
InChIInChI=1S/C7H12N4O/c1-5-3-4-11(10-5)6(2)7(12)9-8/h3-4,6H,8H2,1-2H3,(H,9,12)
InChIKeyJSANMJHDZZLMHH-UHFFFAOYSA-N
XLogP-0.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(3-methylpyrazol-1-yl)propanehydrazide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)propanehydrazide (CID 17024628) is 2-(3-methylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)propanehydrazide is Cc1ccn(C(C)C(=O)NN)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)propanehydrazide?
The InChIKey is JSANMJHDZZLMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-3-4-11(10-5)6(2)7(12)9-8/h3-4,6H,8H2,1-2H3,(H,9,12).
What are the key properties of 2-(3-methylpyrazol-1-yl)propanehydrazide?
2-(3-methylpyrazol-1-yl)propanehydrazide has a molecular weight of 168.20 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 17024628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).