1-[(2-fluorophenyl)methyl]-4-nitropyrazole

C10H8FN3O2 — CID 573054

IUPAC1-[(2-fluorophenyl)methyl]-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C10H8FN3O2/c11-10-4-2-1-3-8(10)6-13-7-9(5-12-13)14(15)16/h1-5,7H,6H2
InChIKeyMWUHGGSSXUCPHD-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.98
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-nitropyrazole

1-[(2-fluorophenyl)methyl]-4-nitropyrazole (PubChem CID 573054) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-nitropyrazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-nitropyrazole
PubChem CID573054
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name1-[(2-fluorophenyl)methyl]-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C10H8FN3O2/c11-10-4-2-1-3-8(10)6-13-7-9(5-12-13)14(15)16/h1-5,7H,6H2
InChIKeyMWUHGGSSXUCPHD-UHFFFAOYSA-N
XLogP1.98
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
CID 75357814
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516055
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-nitrobenzenesulfonamide
CID 4772592
4-chloro-1-[(2-fluorophenyl)methyl]-3-nitropyrazole
CID 7017487
2-nitro-6-[(4-nitropyrazol-1-yl)methyl]benzoic acid
CID 104825592
1-[(2-chloro-5-nitrophenyl)methyl]-4-nitropyrazole
CID 43169178
1-(2,6-difluorophenyl)-2-(4-nitropyrazol-1-yl)ethanol
CID 109411760
1-[(2-fluorophenyl)methyl]-4-methyl-3-nitropyrazole
CID 171134022
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
3-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 167777500
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone
CID 19531329
4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240597

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-nitropyrazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-nitropyrazole (CID 573054) is 1-[(2-fluorophenyl)methyl]-4-nitropyrazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-nitropyrazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-nitropyrazole is O=[N+]([O-])c1cnn(Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-nitropyrazole?
The InChIKey is MWUHGGSSXUCPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-10-4-2-1-3-8(10)6-13-7-9(5-12-13)14(15)16/h1-5,7H,6H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-nitropyrazole?
1-[(2-fluorophenyl)methyl]-4-nitropyrazole has a molecular weight of 221.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-nitropyrazole is sourced from PubChem (CID 573054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).