1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide

C19H18FN3O2S — CID 2419772

IUPAC1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide
SMILESCc1ccsc1C(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H18FN3O2S/c1-11-8-9-26-17(11)19(25)22-21-18(24)16-10-12(2)23(13(16)3)15-6-4-14(20)5-7-15/h4-10H,1-3H3,(H,21,24)(H,22,25)
InChIKeyXLNAGHDTZYDBGP-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.68
Rot. Bonds3

About 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide

1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide (PubChem CID 2419772) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide
PubChem CID2419772
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide
SMILESCc1ccsc1C(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H18FN3O2S/c1-11-8-9-26-17(11)19(25)22-21-18(24)16-10-12(2)23(13(16)3)15-6-4-14(20)5-7-15/h4-10H,1-3H3,(H,21,24)(H,22,25)
InChIKeyXLNAGHDTZYDBGP-UHFFFAOYSA-N
XLogP3.68
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide?
The IUPAC name of 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide (CID 2419772) is 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide.
What is the SMILES notation for 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide?
The canonical SMILES for 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide is Cc1ccsc1C(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide?
The InChIKey is XLNAGHDTZYDBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-11-8-9-26-17(11)19(25)22-21-18(24)16-10-12(2)23(13(16)3)15-6-4-14(20)5-7-15/h4-10H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide?
1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide has a molecular weight of 371.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)pyrrole-3-carbohydrazide is sourced from PubChem (CID 2419772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).