1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide

C19H20F3N5O3 — CID 25162137

IUPAC1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide
SMILESCc1ccc(CN2CC(C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)CC2=O)cc1
InChIInChI=1S/C19H20F3N5O3/c1-12-2-4-13(5-3-12)9-26-10-14(8-17(26)29)18(30)24-23-16(28)11-27-7-6-15(25-27)19(20,21)22/h2-7,14H,8-11H2,1H3,(H,23,28)(H,24,30)
InChIKeyZEOPHRSXGNOTNA-UHFFFAOYSA-N
MW423.40 g/mol
LogP1.41
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide

1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide (PubChem CID 25162137) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide
PubChem CID25162137
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC Name1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide
SMILESCc1ccc(CN2CC(C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)CC2=O)cc1
InChIInChI=1S/C19H20F3N5O3/c1-12-2-4-13(5-3-12)9-26-10-14(8-17(26)29)18(30)24-23-16(28)11-27-7-6-15(25-27)19(20,21)22/h2-7,14H,8-11H2,1H3,(H,23,28)(H,24,30)
InChIKeyZEOPHRSXGNOTNA-UHFFFAOYSA-N
XLogP1.41
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide (CID 25162137) is 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide is Cc1ccc(CN2CC(C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide?
The InChIKey is ZEOPHRSXGNOTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-12-2-4-13(5-3-12)9-26-10-14(8-17(26)29)18(30)24-23-16(28)11-27-7-6-15(25-27)19(20,21)22/h2-7,14H,8-11H2,1H3,(H,23,28)(H,24,30).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide?
1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide has a molecular weight of 423.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 25162137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).