3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide

C18H15ClN4O2 — CID 17468530

IUPAC3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H15ClN4O2/c19-16-4-1-3-15(11-16)18(25)22-21-17(24)14-7-5-13(6-8-14)12-23-10-2-9-20-23/h1-11H,12H2,(H,21,24)(H,22,25)
InChIKeyHOCAITPMSBIUSS-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.66
Rot. Bonds4

About 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide

3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide (PubChem CID 17468530) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
PubChem CID17468530
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H15ClN4O2/c19-16-4-1-3-15(11-16)18(25)22-21-17(24)14-7-5-13(6-8-14)12-23-10-2-9-20-23/h1-11H,12H2,(H,21,24)(H,22,25)
InChIKeyHOCAITPMSBIUSS-UHFFFAOYSA-N
XLogP2.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 41483858
3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
CID 27605122
N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 725007
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
CID 3667212
1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 75400123
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 17437529
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide (CID 17468530) is 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide is O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide?
The InChIKey is HOCAITPMSBIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-16-4-1-3-15(11-16)18(25)22-21-17(24)14-7-5-13(6-8-14)12-23-10-2-9-20-23/h1-11H,12H2,(H,21,24)(H,22,25).
What are the key properties of 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide?
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide has a molecular weight of 354.80 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 17468530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).