N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide

C14H19N5O — CID 107464719

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(C)ccc1NN
InChIInChI=1S/C14H19N5O/c1-4-11-13(8-19(3)18-11)16-14(20)10-7-9(2)5-6-12(10)17-15/h5-8,17H,4,15H2,1-3H3,(H,16,20)
InChIKeyQNTZICLHEKFHKU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.83
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide

N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 107464719) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
PubChem CID107464719
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(C)ccc1NN
InChIInChI=1S/C14H19N5O/c1-4-11-13(8-19(3)18-11)16-14(20)10-7-9(2)5-6-12(10)17-15/h5-8,17H,4,15H2,1-3H3,(H,16,20)
InChIKeyQNTZICLHEKFHKU-UHFFFAOYSA-N
XLogP1.83
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103909985
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide (CID 107464719) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide is CCc1nn(C)cc1NC(=O)c1cc(C)ccc1NN.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is QNTZICLHEKFHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-11-13(8-19(3)18-11)16-14(20)10-7-9(2)5-6-12(10)17-15/h5-8,17H,4,15H2,1-3H3,(H,16,20).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 107464719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).