4-chloro-1-methylpyrazole-5-carbohydrazide

C5H7ClN4O — CID 588755

IUPAC4-chloro-1-methylpyrazole-5-carbohydrazide
SMILESCn1ncc(Cl)c1C(=O)NN
InChIInChI=1S/C5H7ClN4O/c1-10-4(5(11)9-7)3(6)2-8-10/h2H,7H2,1H3,(H,9,11)
InChIKeyPPLCIHVXGDFWGU-UHFFFAOYSA-N
MW174.59 g/mol
LogP-0.32
Rot. Bonds1

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

4-chloro-1-methylpyrazole-5-carbohydrazide (PubChem CID 588755) has the molecular formula C5H7ClN4O and a molecular weight of 174.59 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name4-chloro-1-methylpyrazole-5-carbohydrazide
PubChem CID588755
Molecular FormulaC5H7ClN4O
Molecular Weight174.59 g/mol
Exact Mass174.03
IUPAC Name4-chloro-1-methylpyrazole-5-carbohydrazide
SMILESCn1ncc(Cl)c1C(=O)NN
InChIInChI=1S/C5H7ClN4O/c1-10-4(5(11)9-7)3(6)2-8-10/h2H,7H2,1H3,(H,9,11)
InChIKeyPPLCIHVXGDFWGU-UHFFFAOYSA-N
XLogP-0.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 5-0.32
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-1-methylpyrazole-5-carbohydrazide?
The IUPAC name of 4-chloro-1-methylpyrazole-5-carbohydrazide (CID 588755) is 4-chloro-1-methylpyrazole-5-carbohydrazide.
What is the SMILES notation for 4-chloro-1-methylpyrazole-5-carbohydrazide?
The canonical SMILES for 4-chloro-1-methylpyrazole-5-carbohydrazide is Cn1ncc(Cl)c1C(=O)NN.
What is the InChIKey of 4-chloro-1-methylpyrazole-5-carbohydrazide?
The InChIKey is PPLCIHVXGDFWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O/c1-10-4(5(11)9-7)3(6)2-8-10/h2H,7H2,1H3,(H,9,11).
What are the key properties of 4-chloro-1-methylpyrazole-5-carbohydrazide?
4-chloro-1-methylpyrazole-5-carbohydrazide has a molecular weight of 174.59 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazole-5-carbohydrazide is sourced from PubChem (CID 588755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).