N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide

C15H19N5O2 — CID 10542321

IUPACN-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(C)cc2)c1C(=O)NN
InChIInChI=1S/C15H19N5O2/c1-4-20-13(15(22)18-16)12(10(3)19-20)17-14(21)11-7-5-9(2)6-8-11/h5-8H,4,16H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyJOBAPGADLLVMLS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.38
Rot. Bonds4

About N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide

N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide (PubChem CID 10542321) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide
PubChem CID10542321
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(C)cc2)c1C(=O)NN
InChIInChI=1S/C15H19N5O2/c1-4-20-13(15(22)18-16)12(10(3)19-20)17-14(21)11-7-5-9(2)6-8-11/h5-8H,4,16H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyJOBAPGADLLVMLS-UHFFFAOYSA-N
XLogP1.38
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide (CID 10542321) is N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide is CCn1nc(C)c(NC(=O)c2ccc(C)cc2)c1C(=O)NN.
What is the InChIKey of N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide?
The InChIKey is JOBAPGADLLVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-4-20-13(15(22)18-16)12(10(3)19-20)17-14(21)11-7-5-9(2)6-8-11/h5-8H,4,16H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide?
N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(hydrazinecarbonyl)-3-methylpyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 10542321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).