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

C14H18N4O — CID 55214651

IUPAC4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
SMILESCc1nn(Cc2ccc(C(=O)NN)cc2)c(C)c1C
InChIInChI=1S/C14H18N4O/c1-9-10(2)17-18(11(9)3)8-12-4-6-13(7-5-12)14(19)16-15/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyYLLOYLCQZLCHTM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.46
Rot. Bonds3

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

4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide (PubChem CID 55214651) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
PubChem CID55214651
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
SMILESCc1nn(Cc2ccc(C(=O)NN)cc2)c(C)c1C
InChIInChI=1S/C14H18N4O/c1-9-10(2)17-18(11(9)3)8-12-4-6-13(7-5-12)14(19)16-15/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyYLLOYLCQZLCHTM-UHFFFAOYSA-N
XLogP1.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.46
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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Related Compounds

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzohydrazide
CID 844330
[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 54970589
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine
CID 105348623
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;hydrochloride
CID 90484252
3,4,5-trimethyl-1-[(4-nitrophenyl)methyl]pyrazole
CID 174704282
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-enylbenzamide
CID 35529506
3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
CID 102774824
4-[(5-bromo-4-methyl-6-oxopyrimidin-1-yl)methyl]benzohydrazide
CID 66310700
4-[(5-iodo-4-methyl-6-oxopyrimidin-1-yl)methyl]benzohydrazide
CID 66341583
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 95753534
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N',N'-dimethylbenzohydrazide
CID 9180395

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide (CID 55214651) is 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide is Cc1nn(Cc2ccc(C(=O)NN)cc2)c(C)c1C.
What is the InChIKey of 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is YLLOYLCQZLCHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-10(2)17-18(11(9)3)8-12-4-6-13(7-5-12)14(19)16-15/h4-7H,8,15H2,1-3H3,(H,16,19).
What are the key properties of 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide?
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 258.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 55214651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).