2-amino-5-phenyl-1H-pyrrole-3-carboxamide

C11H11N3O — CID 59285897

IUPAC2-amino-5-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)[nH]c1N
InChIInChI=1S/C11H11N3O/c12-10-8(11(13)15)6-9(14-10)7-4-2-1-3-5-7/h1-6,14H,12H2,(H2,13,15)
InChIKeyVGHLEEQTDHZFCW-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-5-phenyl-1H-pyrrole-3-carboxamide

2-amino-5-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 59285897) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-5-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-phenyl-1H-pyrrole-3-carboxamide
PubChem CID59285897
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-amino-5-phenyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)[nH]c1N
InChIInChI=1S/C11H11N3O/c12-10-8(11(13)15)6-9(14-10)7-4-2-1-3-5-7/h1-6,14H,12H2,(H2,13,15)
InChIKeyVGHLEEQTDHZFCW-UHFFFAOYSA-N
XLogP1.36
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-phenyl-1H-pyrrole-3-carboxamide (CID 59285897) is 2-amino-5-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-phenyl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccccc2)[nH]c1N.
What is the InChIKey of 2-amino-5-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is VGHLEEQTDHZFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10-8(11(13)15)6-9(14-10)7-4-2-1-3-5-7/h1-6,14H,12H2,(H2,13,15).
What are the key properties of 2-amino-5-phenyl-1H-pyrrole-3-carboxamide?
2-amino-5-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).