4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide

C7H11ClN4O — CID 15328377

IUPAC4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide
SMILESCCc1nn(C)c(C(=O)NN)c1Cl
InChIInChI=1S/C7H11ClN4O/c1-3-4-5(8)6(7(13)10-9)12(2)11-4/h3,9H2,1-2H3,(H,10,13)
InChIKeyXEULSNPKBDVIHJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.24
Rot. Bonds2

About 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide

4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide (PubChem CID 15328377) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide
PubChem CID15328377
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide
SMILESCCc1nn(C)c(C(=O)NN)c1Cl
InChIInChI=1S/C7H11ClN4O/c1-3-4-5(8)6(7(13)10-9)12(2)11-4/h3,9H2,1-2H3,(H,10,13)
InChIKeyXEULSNPKBDVIHJ-UHFFFAOYSA-N
XLogP0.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.24
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 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide?
The IUPAC name of 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide (CID 15328377) is 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide.
What is the SMILES notation for 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide?
The canonical SMILES for 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide is CCc1nn(C)c(C(=O)NN)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide?
The InChIKey is XEULSNPKBDVIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-3-4-5(8)6(7(13)10-9)12(2)11-4/h3,9H2,1-2H3,(H,10,13).
What are the key properties of 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide?
4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide has a molecular weight of 202.64 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methylpyrazole-5-carbohydrazide is sourced from PubChem (CID 15328377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).