2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine

C17H19FN6O3 — CID 71490930

IUPAC2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine
SMILESCOc1cc(F)cc(-n2cc(C)nc2-n2nc(C)cc2N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C17H19FN6O3/c1-10-6-15(21(3)4)23(20-10)17-19-11(2)9-22(17)13-7-12(18)8-14(27-5)16(13)24(25)26/h6-9H,1-5H3
InChIKeyRGOLOFAOOQPGHR-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine

2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine (PubChem CID 71490930) has the molecular formula C17H19FN6O3 and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine.

Molecular Properties

Compound Name2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine
PubChem CID71490930
Molecular FormulaC17H19FN6O3
Molecular Weight374.38 g/mol
Exact Mass374.15
IUPAC Name2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine
SMILESCOc1cc(F)cc(-n2cc(C)nc2-n2nc(C)cc2N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C17H19FN6O3/c1-10-6-15(21(3)4)23(20-10)17-19-11(2)9-22(17)13-7-12(18)8-14(27-5)16(13)24(25)26/h6-9H,1-5H3
InChIKeyRGOLOFAOOQPGHR-UHFFFAOYSA-N
XLogP2.80
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole
CID 143812513
3-methoxy-5-[2-(5-methoxy-3-pyridinyl)-4-methylimidazol-1-yl]-4-nitrophenol
CID 70226560
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole
CID 71490910
4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine
CID 71490946
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55892651
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine?
The IUPAC name of 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine (CID 71490930) is 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine.
What is the SMILES notation for 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine?
The canonical SMILES for 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine is COc1cc(F)cc(-n2cc(C)nc2-n2nc(C)cc2N(C)C)c1[N+](=O)[O-].
What is the InChIKey of 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine?
The InChIKey is RGOLOFAOOQPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O3/c1-10-6-15(21(3)4)23(20-10)17-19-11(2)9-22(17)13-7-12(18)8-14(27-5)16(13)24(25)26/h6-9H,1-5H3.
What are the key properties of 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine?
2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine has a molecular weight of 374.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine is sourced from PubChem (CID 71490930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).