1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide

C19H17ClN4O3 — CID 9321612

IUPAC1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H17ClN4O3/c20-16-8-4-5-9-17(16)27-13-18(25)22-23-19(26)15-10-21-24(12-15)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,25)(H,23,26)
InChIKeyFVTRYEORJASSRF-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.42
Rot. Bonds6

About 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide

1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide (PubChem CID 9321612) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide
PubChem CID9321612
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H17ClN4O3/c20-16-8-4-5-9-17(16)27-13-18(25)22-23-19(26)15-10-21-24(12-15)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,25)(H,23,26)
InChIKeyFVTRYEORJASSRF-UHFFFAOYSA-N
XLogP2.42
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 8979035
1-benzylpyrazole-4-carbohydrazide
CID 83386286
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400071
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9321094
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide
CID 26121643
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
N'-(1-benzylpyrazole-4-carbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541606
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 17437529

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide (CID 9321612) is 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide is O=C(COc1ccccc1Cl)NNC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide?
The InChIKey is FVTRYEORJASSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-16-8-4-5-9-17(16)27-13-18(25)22-23-19(26)15-10-21-24(12-15)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,25)(H,23,26).
What are the key properties of 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide?
1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide has a molecular weight of 384.82 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 9321612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).