N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C21H18ClN5O4 — CID 46581353

IUPACN'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H18ClN5O4/c22-14-5-4-8-16(10-14)26-11-13(9-18(26)29)20(30)23-24-21(31)19-17(28)12-27(25-19)15-6-2-1-3-7-15/h1-8,10,12-13,28H,9,11H2,(H,23,30)(H,24,31)
InChIKeyTYMSSOFUKCJBLY-UHFFFAOYSA-N
MW439.86 g/mol
LogP2.05
Rot. Bonds4

About N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46581353) has the molecular formula C21H18ClN5O4 and a molecular weight of 439.86 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID46581353
Molecular FormulaC21H18ClN5O4
Molecular Weight439.86 g/mol
Exact Mass439.10
IUPAC NameN'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H18ClN5O4/c22-14-5-4-8-16(10-14)26-11-13(9-18(26)29)20(30)23-24-21(31)19-17(28)12-27(25-19)15-6-2-1-3-7-15/h1-8,10,12-13,28H,9,11H2,(H,23,30)(H,24,31)
InChIKeyTYMSSOFUKCJBLY-UHFFFAOYSA-N
XLogP2.05
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 55615757
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 55575271
N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51276609
(3R)-N'-(1,3-benzodioxole-5-carbonyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51935339
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713
(3S)-N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058153
1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059070
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 46581353) is N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is TYMSSOFUKCJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O4/c22-14-5-4-8-16(10-14)26-11-13(9-18(26)29)20(30)23-24-21(31)19-17(28)12-27(25-19)15-6-2-1-3-7-15/h1-8,10,12-13,28H,9,11H2,(H,23,30)(H,24,31).
What are the key properties of N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 439.86 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46581353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).