3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide

C19H21FN4O3 — CID 52975632

IUPAC3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3/c1-12-4-2-3-5-16(12)27-11-17(25)22-24-19(26)15-10-21-23-18(15)13-6-8-14(20)9-7-13/h2-9,15,18,21,23H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyJPSJIHSDSXOARZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.13
Rot. Bonds5

About 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide

3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide (PubChem CID 52975632) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide
PubChem CID52975632
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3/c1-12-4-2-3-5-16(12)27-11-17(25)22-24-19(26)15-10-21-23-18(15)13-6-8-14(20)9-7-13/h2-9,15,18,21,23H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyJPSJIHSDSXOARZ-UHFFFAOYSA-N
XLogP1.13
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(2-methylphenoxy)acetamide
CID 42266086
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
CID 9320723
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
(E)-4-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6171221
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide
CID 9470008

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide (CID 52975632) is 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide is Cc1ccccc1OCC(=O)NNC(=O)C1CNNC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide?
The InChIKey is JPSJIHSDSXOARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-4-2-3-5-16(12)27-11-17(25)22-24-19(26)15-10-21-23-18(15)13-6-8-14(20)9-7-13/h2-9,15,18,21,23H,10-11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide?
3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide has a molecular weight of 372.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide is sourced from PubChem (CID 52975632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).