3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide

C10H9ClN4O — CID 3123525

IUPAC3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H9ClN4O/c11-7-3-1-6(2-4-7)8-5-9(15-14-8)10(16)13-12/h1-5H,12H2,(H,13,16)(H,14,15)
InChIKeyCSHLSZFCPXYIAM-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.33
Rot. Bonds2

About 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide

3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 3123525) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID3123525
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H9ClN4O/c11-7-3-1-6(2-4-7)8-5-9(15-14-8)10(16)13-12/h1-5H,12H2,(H,13,16)(H,14,15)
InChIKeyCSHLSZFCPXYIAM-UHFFFAOYSA-N
XLogP1.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.33
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-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide (CID 3123525) is 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide is NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is CSHLSZFCPXYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-7-3-1-6(2-4-7)8-5-9(15-14-8)10(16)13-12/h1-5H,12H2,(H,13,16)(H,14,15).
What are the key properties of 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 236.66 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 3123525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).