N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide

C12H11FN4O4 — CID 86786035

IUPACN-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(O)cc1F
InChIInChI=1S/C12H11FN4O4/c13-10-5-9(18)1-2-11(10)15-12(19)3-4-16-7-8(6-14-16)17(20)21/h1-2,5-7,18H,3-4H2,(H,15,19)
InChIKeyDRBIOLLBTXVJNK-UHFFFAOYSA-N
MW294.24 g/mol
LogP1.66
Rot. Bonds5

About N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide

N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 86786035) has the molecular formula C12H11FN4O4 and a molecular weight of 294.24 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID86786035
Molecular FormulaC12H11FN4O4
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(O)cc1F
InChIInChI=1S/C12H11FN4O4/c13-10-5-9(18)1-2-11(10)15-12(19)3-4-16-7-8(6-14-16)17(20)21/h1-2,5-7,18H,3-4H2,(H,15,19)
InChIKeyDRBIOLLBTXVJNK-UHFFFAOYSA-N
XLogP1.66
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60573218
N-(2-aminoethyl)-2-[3-(4-nitropyrazol-1-yl)propanoylamino]benzamide
CID 120603843
3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 71869130
N-(4-chloro-2-fluorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1014836
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555581
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60574033
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 111451400
3-(4-chloropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19542063
3-(4-chloropyrazol-1-yl)-N-(2-cyano-4-nitrophenyl)propanamide
CID 19539686
N-[2-(azepan-1-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60574074
N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 5306322

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide (CID 86786035) is N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide is O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(O)cc1F.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is DRBIOLLBTXVJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O4/c13-10-5-9(18)1-2-11(10)15-12(19)3-4-16-7-8(6-14-16)17(20)21/h1-2,5-7,18H,3-4H2,(H,15,19).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 294.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 86786035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).