N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide

C17H19FN4O — CID 2355021

IUPACN'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC2=NCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O/c1-11-10-15(17(23)21-20-16-4-3-9-19-16)12(2)22(11)14-7-5-13(18)6-8-14/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyAMPHJNNDHHKPDQ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.66
Rot. Bonds2

About N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide

N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide (PubChem CID 2355021) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
PubChem CID2355021
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC2=NCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O/c1-11-10-15(17(23)21-20-16-4-3-9-19-16)12(2)22(11)14-7-5-13(18)6-8-14/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyAMPHJNNDHHKPDQ-UHFFFAOYSA-N
XLogP2.66
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.66
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 N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide (CID 2355021) is N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC2=NCCC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The InChIKey is AMPHJNNDHHKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11-10-15(17(23)21-20-16-4-3-9-19-16)12(2)22(11)14-7-5-13(18)6-8-14/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide?
N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide has a molecular weight of 314.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide is sourced from PubChem (CID 2355021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).