2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol

C9H7FN4O3 — CID 117348385

IUPAC2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
SMILESNc1[nH]ncc1-c1cc([N+](=O)[O-])c(F)cc1O
InChIInChI=1S/C9H7FN4O3/c10-6-2-8(15)4(1-7(6)14(16)17)5-3-12-13-9(5)11/h1-3,15H,(H3,11,12,13)
InChIKeyKKYPNZDIJWRANJ-UHFFFAOYSA-N
MW238.18 g/mol
LogP1.41
Rot. Bonds2

About 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol

2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol (PubChem CID 117348385) has the molecular formula C9H7FN4O3 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
PubChem CID117348385
Molecular FormulaC9H7FN4O3
Molecular Weight238.18 g/mol
Exact Mass238.05
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
SMILESNc1[nH]ncc1-c1cc([N+](=O)[O-])c(F)cc1O
InChIInChI=1S/C9H7FN4O3/c10-6-2-8(15)4(1-7(6)14(16)17)5-3-12-13-9(5)11/h1-3,15H,(H3,11,12,13)
InChIKeyKKYPNZDIJWRANJ-UHFFFAOYSA-N
XLogP1.41
TPSA118.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid
CID 117341582
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
4-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 28688793
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5-difluorophenol
CID 117468094
methyl 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoate
CID 117375287
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
CID 117432533
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844889
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
CID 117311058
3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
CID 117350062

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol (CID 117348385) is 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol is Nc1[nH]ncc1-c1cc([N+](=O)[O-])c(F)cc1O.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol?
The InChIKey is KKYPNZDIJWRANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O3/c10-6-2-8(15)4(1-7(6)14(16)17)5-3-12-13-9(5)11/h1-3,15H,(H3,11,12,13).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol?
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol has a molecular weight of 238.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol is sourced from PubChem (CID 117348385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).