N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide

C20H18ClN5O3 — CID 4040988

IUPACN-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CNC(=O)c1ccccc1O
InChIInChI=1S/C20H18ClN5O3/c1-13-16(19(21)26(25-13)14-7-3-2-4-8-14)11-23-24-18(28)12-22-20(29)15-9-5-6-10-17(15)27/h2-11,27H,12H2,1H3,(H,22,29)(H,24,28)
InChIKeyLPHIPHIGOXGZGT-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide

N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 4040988) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide
PubChem CID4040988
Molecular FormulaC20H18ClN5O3
Molecular Weight411.85 g/mol
Exact Mass411.11
IUPAC NameN-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CNC(=O)c1ccccc1O
InChIInChI=1S/C20H18ClN5O3/c1-13-16(19(21)26(25-13)14-7-3-2-4-8-14)11-23-24-18(28)12-22-20(29)15-9-5-6-10-17(15)27/h2-11,27H,12H2,1H3,(H,22,29)(H,24,28)
InChIKeyLPHIPHIGOXGZGT-UHFFFAOYSA-N
XLogP2.42
TPSA108.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 5023705
2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 1079704
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 7334401
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5435233
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5438565
N-[(E)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-phenylacetamide
CID 6893285
4-bromo-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 6871391
2-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
CID 45327494
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 6907935
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6070242
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 5445787
2-(2-bromophenoxy)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 56663382

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide (CID 4040988) is N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide is Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CNC(=O)c1ccccc1O.
What is the InChIKey of N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide?
The InChIKey is LPHIPHIGOXGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c1-13-16(19(21)26(25-13)14-7-3-2-4-8-14)11-23-24-18(28)12-22-20(29)15-9-5-6-10-17(15)27/h2-11,27H,12H2,1H3,(H,22,29)(H,24,28).
What are the key properties of N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide?
N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 411.85 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 4040988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).