N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide

C20H19ClN4O3 — CID 2511372

IUPACN'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H19ClN4O3/c1-13-11-14(2)25(24-13)17-7-3-15(4-8-17)20(27)23-22-19(26)12-28-18-9-5-16(21)6-10-18/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKMMGMOZMUQDJRZ-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.98
Rot. Bonds5

About N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide

N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide (PubChem CID 2511372) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
PubChem CID2511372
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H19ClN4O3/c1-13-11-14(2)25(24-13)17-7-3-15(4-8-17)20(27)23-22-19(26)12-28-18-9-5-16(21)6-10-18/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKMMGMOZMUQDJRZ-UHFFFAOYSA-N
XLogP2.98
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 26901799
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 26821351
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 167832722
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
N'-[2-(4-chlorophenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 24535782
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 55495546
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide (CID 2511372) is N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide is Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide?
The InChIKey is KMMGMOZMUQDJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-13-11-14(2)25(24-13)17-7-3-15(4-8-17)20(27)23-22-19(26)12-28-18-9-5-16(21)6-10-18/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide has a molecular weight of 398.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide is sourced from PubChem (CID 2511372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).