4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

C15H13BrN4O2 — CID 31949170

IUPAC4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESN#Cc1ccc(CCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C15H13BrN4O2/c16-12-7-13(18-9-12)15(22)20-19-14(21)6-5-10-1-3-11(8-17)4-2-10/h1-4,7,9,18H,5-6H2,(H,19,21)(H,20,22)
InChIKeyBLFVJGCNRJYWRS-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.04
Rot. Bonds4

About 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 31949170) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID31949170
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESN#Cc1ccc(CCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C15H13BrN4O2/c16-12-7-13(18-9-12)15(22)20-19-14(21)6-5-10-1-3-11(8-17)4-2-10/h1-4,7,9,18H,5-6H2,(H,19,21)(H,20,22)
InChIKeyBLFVJGCNRJYWRS-UHFFFAOYSA-N
XLogP2.04
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 31949170) is 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is N#Cc1ccc(CCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1.
What is the InChIKey of 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is BLFVJGCNRJYWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c16-12-7-13(18-9-12)15(22)20-19-14(21)6-5-10-1-3-11(8-17)4-2-10/h1-4,7,9,18H,5-6H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 361.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 31949170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).