2-ethyl-5-methylpyrazole-3-carbohydrazide

C7H12N4O — CID 2744172

IUPAC2-ethyl-5-methylpyrazole-3-carbohydrazide
SMILESCCn1nc(C)cc1C(=O)NN
InChIInChI=1S/C7H12N4O/c1-3-11-6(7(12)9-8)4-5(2)10-11/h4H,3,8H2,1-2H3,(H,9,12)
InChIKeySPEWPMBDWDUKSU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.19
Rot. Bonds2

About 2-ethyl-5-methylpyrazole-3-carbohydrazide

2-ethyl-5-methylpyrazole-3-carbohydrazide (PubChem CID 2744172) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethyl-5-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-ethyl-5-methylpyrazole-3-carbohydrazide
PubChem CID2744172
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-ethyl-5-methylpyrazole-3-carbohydrazide
SMILESCCn1nc(C)cc1C(=O)NN
InChIInChI=1S/C7H12N4O/c1-3-11-6(7(12)9-8)4-5(2)10-11/h4H,3,8H2,1-2H3,(H,9,12)
InChIKeySPEWPMBDWDUKSU-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
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-ethyl-5-methylpyrazole-3-carbohydrazide?
The IUPAC name of 2-ethyl-5-methylpyrazole-3-carbohydrazide (CID 2744172) is 2-ethyl-5-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 2-ethyl-5-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 2-ethyl-5-methylpyrazole-3-carbohydrazide is CCn1nc(C)cc1C(=O)NN.
What is the InChIKey of 2-ethyl-5-methylpyrazole-3-carbohydrazide?
The InChIKey is SPEWPMBDWDUKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-11-6(7(12)9-8)4-5(2)10-11/h4H,3,8H2,1-2H3,(H,9,12).
What are the key properties of 2-ethyl-5-methylpyrazole-3-carbohydrazide?
2-ethyl-5-methylpyrazole-3-carbohydrazide has a molecular weight of 168.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 2744172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).