N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide

C15H17ClN4O — CID 5046574

IUPACN'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQEYROFLYAZOVFT-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.09
Rot. Bonds5

About N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide

N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide (PubChem CID 5046574) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
PubChem CID5046574
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQEYROFLYAZOVFT-UHFFFAOYSA-N
XLogP3.09
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide 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-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide (CID 5046574) is N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide is C=C(NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The InChIKey is QEYROFLYAZOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide has a molecular weight of 304.78 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 5046574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).