N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

C14H16N4O4 — CID 4865128

IUPACN-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CC(C)C(=O)Nc1ccccc1O
InChIInChI=1S/C14H16N4O4/c1-9(8-17-10(2)7-13(16-17)18(21)22)14(20)15-11-5-3-4-6-12(11)19/h3-7,9,19H,8H2,1-2H3,(H,15,20)
InChIKeyPXAHSXSBHLIVST-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.08
Rot. Bonds5

About N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 4865128) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID4865128
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CC(C)C(=O)Nc1ccccc1O
InChIInChI=1S/C14H16N4O4/c1-9(8-17-10(2)7-13(16-17)18(21)22)14(20)15-11-5-3-4-6-12(11)19/h3-7,9,19H,8H2,1-2H3,(H,15,20)
InChIKeyPXAHSXSBHLIVST-UHFFFAOYSA-N
XLogP2.08
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.08
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (CID 4865128) is N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is Cc1cc([N+](=O)[O-])nn1CC(C)C(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is PXAHSXSBHLIVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9(8-17-10(2)7-13(16-17)18(21)22)14(20)15-11-5-3-4-6-12(11)19/h3-7,9,19H,8H2,1-2H3,(H,15,20).
What are the key properties of N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4865128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).