3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide

C10H8Cl2N4O — CID 940183

IUPAC3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-2-6(7(12)3-5)8-4-9(16-15-8)10(17)14-13/h1-4H,13H2,(H,14,17)(H,15,16)
InChIKeyRGHBSQSJDPVKRN-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.99
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide

3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 940183) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID940183
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-2-6(7(12)3-5)8-4-9(16-15-8)10(17)14-13/h1-4H,13H2,(H,14,17)(H,15,16)
InChIKeyRGHBSQSJDPVKRN-UHFFFAOYSA-N
XLogP1.99
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide (CID 940183) is 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide is NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is RGHBSQSJDPVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-5-1-2-6(7(12)3-5)8-4-9(16-15-8)10(17)14-13/h1-4H,13H2,(H,14,17)(H,15,16).
What are the key properties of 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide?
3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 271.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 940183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).