3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide

C13H15ClN4O — CID 947630

IUPAC3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
SMILESCc1nn(Cc2cccc(C(=O)NN)c2)c(C)c1Cl
InChIInChI=1S/C13H15ClN4O/c1-8-12(14)9(2)18(17-8)7-10-4-3-5-11(6-10)13(19)16-15/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyLSSLOSVWVWDYJA-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.81
Rot. Bonds3

About 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide (PubChem CID 947630) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
PubChem CID947630
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
SMILESCc1nn(Cc2cccc(C(=O)NN)c2)c(C)c1Cl
InChIInChI=1S/C13H15ClN4O/c1-8-12(14)9(2)18(17-8)7-10-4-3-5-11(6-10)13(19)16-15/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyLSSLOSVWVWDYJA-UHFFFAOYSA-N
XLogP1.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.81
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 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide (CID 947630) is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide is Cc1nn(Cc2cccc(C(=O)NN)c2)c(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is LSSLOSVWVWDYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-12(14)9(2)18(17-8)7-10-4-3-5-11(6-10)13(19)16-15/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide?
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 278.74 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 947630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).