1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide

C11H11ClN4O — CID 3250598

IUPAC1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c1-7-10(11(17)15-13)6-14-16(7)9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H,15,17)
InChIKeyOWGYQSBCCPXQTF-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.44
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide

1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide (PubChem CID 3250598) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide
PubChem CID3250598
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c1-7-10(11(17)15-13)6-14-16(7)9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H,15,17)
InChIKeyOWGYQSBCCPXQTF-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.44
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 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide (CID 3250598) is 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide is Cc1c(C(=O)NN)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide?
The InChIKey is OWGYQSBCCPXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-10(11(17)15-13)6-14-16(7)9-4-2-8(12)3-5-9/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide?
1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide has a molecular weight of 250.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 3250598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).