1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide

C18H20ClN5O3 — CID 51255236

IUPAC1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)C2CC(=O)N(c3ccccc3Cl)C2)n1
InChIInChI=1S/C18H20ClN5O3/c1-11-7-12(2)24(22-11)10-16(25)20-21-18(27)13-8-17(26)23(9-13)15-6-4-3-5-14(15)19/h3-7,13H,8-10H2,1-2H3,(H,20,25)(H,21,27)
InChIKeyYPURHOVUHLFYCP-UHFFFAOYSA-N
MW389.84 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide

1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 51255236) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID51255236
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)C2CC(=O)N(c3ccccc3Cl)C2)n1
InChIInChI=1S/C18H20ClN5O3/c1-11-7-12(2)24(22-11)10-16(25)20-21-18(27)13-8-17(26)23(9-13)15-6-4-3-5-14(15)19/h3-7,13H,8-10H2,1-2H3,(H,20,25)(H,21,27)
InChIKeyYPURHOVUHLFYCP-UHFFFAOYSA-N
XLogP1.35
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 51.35
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

1-[(2-chlorophenyl)methyl]-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 24819671
(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9416516
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 27782863
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46523041
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
(3R)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92612407
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46979764
N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 46652377
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3R)-N-(2-acetylphenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 8891463

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide (CID 51255236) is 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)C2CC(=O)N(c3ccccc3Cl)C2)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is YPURHOVUHLFYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-11-7-12(2)24(22-11)10-16(25)20-21-18(27)13-8-17(26)23(9-13)15-6-4-3-5-14(15)19/h3-7,13H,8-10H2,1-2H3,(H,20,25)(H,21,27).
What are the key properties of 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 389.84 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 51255236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).