N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine

C15H12FN5O2 — CID 133387431

IUPACN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
SMILESCc1c(Nc2ccc([N+](=O)[O-])cn2)cnn1-c1ccccc1F
InChIInChI=1S/C15H12FN5O2/c1-10-13(19-15-7-6-11(8-17-15)21(22)23)9-18-20(10)14-5-3-2-4-12(14)16/h2-9H,1H3,(H,17,19)
InChIKeyYTKZIEVZUVXGAX-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine

N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine (PubChem CID 133387431) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
PubChem CID133387431
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC NameN-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
SMILESCc1c(Nc2ccc([N+](=O)[O-])cn2)cnn1-c1ccccc1F
InChIInChI=1S/C15H12FN5O2/c1-10-13(19-15-7-6-11(8-17-15)21(22)23)9-18-20(10)14-5-3-2-4-12(14)16/h2-9H,1H3,(H,17,19)
InChIKeyYTKZIEVZUVXGAX-UHFFFAOYSA-N
XLogP3.37
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133387386
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
1-(2-fluorophenyl)-5-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyrazole-4-carboxamide
CID 55520788
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133387437
2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine
CID 121006270
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133387403
3-chloro-N-(5-methyl-1-phenylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 133387375
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]methanone
CID 86974009
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine (CID 133387431) is N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine is Cc1c(Nc2ccc([N+](=O)[O-])cn2)cnn1-c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine?
The InChIKey is YTKZIEVZUVXGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c1-10-13(19-15-7-6-11(8-17-15)21(22)23)9-18-20(10)14-5-3-2-4-12(14)16/h2-9H,1H3,(H,17,19).
What are the key properties of N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine?
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine has a molecular weight of 313.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133387431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).