N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide

C13H14N4O4 — CID 19551533

IUPACN-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccccc1O)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O4/c1-2-11(16-8-9(7-14-16)17(20)21)13(19)15-10-5-3-4-6-12(10)18/h3-8,11,18H,2H2,1H3,(H,15,19)
InChIKeyHYAOTFSFFSMHKR-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.09
Rot. Bonds5

About N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide

N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide (PubChem CID 19551533) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
PubChem CID19551533
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccccc1O)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O4/c1-2-11(16-8-9(7-14-16)17(20)21)13(19)15-10-5-3-4-6-12(10)18/h3-8,11,18H,2H2,1H3,(H,15,19)
InChIKeyHYAOTFSFFSMHKR-UHFFFAOYSA-N
XLogP2.09
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.09
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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Related Compounds

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
CID 19551831
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551552
2-(4-chloropyrazol-1-yl)-N-(2-nitrophenyl)butanamide
CID 19549253
methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate
CID 19551776
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551708
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551707
(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
2-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 19393588
2-(4-nitropyrazol-1-yl)butanamide
CID 62901815
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19411339
2-(4-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)butanamide
CID 19551796
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551662

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide (CID 19551533) is N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide is CCC(C(=O)Nc1ccccc1O)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide?
The InChIKey is HYAOTFSFFSMHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-2-11(16-8-9(7-14-16)17(20)21)13(19)15-10-5-3-4-6-12(10)18/h3-8,11,18H,2H2,1H3,(H,15,19).
What are the key properties of N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide?
N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide has a molecular weight of 290.28 g/mol, XLogP of 2.09, 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-(4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 19551533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).