5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide

C14H16FN3O — CID 100792617

IUPAC5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide
SMILESCCc1ccc(C(=O)NN)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-12-7-8-13(14(19)17-16)18(12)9-10-3-5-11(15)6-4-10/h3-8H,2,9,16H2,1H3,(H,17,19)
InChIKeyLVELYWVASPPMMB-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.84
Rot. Bonds4

About 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide

5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide (PubChem CID 100792617) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide
PubChem CID100792617
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide
SMILESCCc1ccc(C(=O)NN)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-12-7-8-13(14(19)17-16)18(12)9-10-3-5-11(15)6-4-10/h3-8H,2,9,16H2,1H3,(H,17,19)
InChIKeyLVELYWVASPPMMB-UHFFFAOYSA-N
XLogP1.84
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide
CID 100793090
methyl 1-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)methyl]pyrrole-2-carboxylate
CID 100793579
4-[5-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2,4-dioxobutanoic acid
CID 20696845
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
CID 91871484
ethyl 2,4,5-tribromo-1-[(4-fluorophenyl)methyl]pyrrole-3-carboxylate
CID 58985823
4-fluorobenzohydrazide
CID 9972
ethyl 4-[1-[(4-fluorophenyl)methyl]-5-phenylpyrrol-2-yl]-2,4-dioxobutanoate
CID 20696851
ethyl 3-amino-1-[(4-fluorophenyl)methyl]-5-methylpyrrole-2-carboxylate
CID 24754832
1-ethyl-N-[(4-fluorophenyl)methyl]-6-oxopyridine-2-carboxamide
CID 158947897
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide?
The IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide (CID 100792617) is 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide is CCc1ccc(C(=O)NN)n1Cc1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide?
The InChIKey is LVELYWVASPPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-12-7-8-13(14(19)17-16)18(12)9-10-3-5-11(15)6-4-10/h3-8H,2,9,16H2,1H3,(H,17,19).
What are the key properties of 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide?
5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide has a molecular weight of 261.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 100792617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).