4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid

C14H17N3O2 — CID 28805907

IUPAC4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(-c2ccc(N(C)C)cc2)c(N)c1C(=O)O
InChIInChI=1S/C14H17N3O2/c1-8-11(14(18)19)12(15)13(16-8)9-4-6-10(7-5-9)17(2)3/h4-7,16H,15H2,1-3H3,(H,18,19)
InChIKeyYZBZIGQDCGLFCM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.34
Rot. Bonds3

About 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid

4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 28805907) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID28805907
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(-c2ccc(N(C)C)cc2)c(N)c1C(=O)O
InChIInChI=1S/C14H17N3O2/c1-8-11(14(18)19)12(15)13(16-8)9-4-6-10(7-5-9)17(2)3/h4-7,16H,15H2,1-3H3,(H,18,19)
InChIKeyYZBZIGQDCGLFCM-UHFFFAOYSA-N
XLogP2.34
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 28805907) is 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(-c2ccc(N(C)C)cc2)c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is YZBZIGQDCGLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-11(14(18)19)12(15)13(16-8)9-4-6-10(7-5-9)17(2)3/h4-7,16H,15H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 28805907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).