N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide

C14H15N3O4 — CID 43639974

IUPACN-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H15N3O4/c1-2-7-16-9-11(17(20)21)8-13(16)14(19)15-10-3-5-12(18)6-4-10/h3-6,8-9,18H,2,7H2,1H3,(H,15,19)
InChIKeyVYRCJBZNXWVQFI-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.76
Rot. Bonds5

About N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide

N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide (PubChem CID 43639974) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide
PubChem CID43639974
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H15N3O4/c1-2-7-16-9-11(17(20)21)8-13(16)14(19)15-10-3-5-12(18)6-4-10/h3-6,8-9,18H,2,7H2,1H3,(H,15,19)
InChIKeyVYRCJBZNXWVQFI-UHFFFAOYSA-N
XLogP2.76
TPSA97.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodophenyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 61400273
N-(4-bromo-2-pyridinyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 102820496
N-(1-amino-2-methylpropan-2-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 63193894
N-(4-ethyl-1H-pyrazol-5-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 104620293
N-(2-ethyl-2-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 65112364
(2S)-3-hydroxy-2-[(4-nitro-1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 61153534
N-(4-bromo-3-methylphenyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 43639699
(2S,3R)-3-hydroxy-2-[(4-nitro-1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 104964809
N-(3-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 64912418
1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43639722
N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 106995308
N-(2-aminophenyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 43639733

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide (CID 43639974) is N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide is CCCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide?
The InChIKey is VYRCJBZNXWVQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-7-16-9-11(17(20)21)8-13(16)14(19)15-10-3-5-12(18)6-4-10/h3-6,8-9,18H,2,7H2,1H3,(H,15,19).
What are the key properties of N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide?
N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).