N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide

C13H14N4O4 — CID 19537149

IUPACN-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(C(C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1
InChIInChI=1S/C13H14N4O4/c1-8-5-6-16(15-8)9(2)13(19)14-11-7-10(17(20)21)3-4-12(11)18/h3-7,9,18H,1-2H3,(H,14,19)
InChIKeyRNJWQNFWMMCHMB-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.01
Rot. Bonds4

About N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide

N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19537149) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide
PubChem CID19537149
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(C(C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1
InChIInChI=1S/C13H14N4O4/c1-8-5-6-16(15-8)9(2)13(19)14-11-7-10(17(20)21)3-4-12(11)18/h3-7,9,18H,1-2H3,(H,14,19)
InChIKeyRNJWQNFWMMCHMB-UHFFFAOYSA-N
XLogP2.01
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide 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

2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19534179
1-[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504520
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536976
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 19535215
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 56766376
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19538376
N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534572
2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
CID 56689131
2-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)-4,4-dimethylpentanamide
CID 107744880
3-(4-bromo-3-methylpyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 19565789

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide (CID 19537149) is N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(C(C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is RNJWQNFWMMCHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8-5-6-16(15-8)9(2)13(19)14-11-7-10(17(20)21)3-4-12(11)18/h3-7,9,18H,1-2H3,(H,14,19).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide?
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 290.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19537149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).