3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole

C10H7ClFN3O2 — CID 81311925

IUPAC3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1cccc(F)c1-n1ccc(CCl)n1
InChIInChI=1S/C10H7ClFN3O2/c11-6-7-4-5-14(13-7)10-8(12)2-1-3-9(10)15(16)17/h1-5H,6H2
InChIKeyLDQRZYIQZVIPNZ-UHFFFAOYSA-N
MW255.64 g/mol
LogP2.66
Rot. Bonds3

About 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole

3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole (PubChem CID 81311925) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole
PubChem CID81311925
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Name3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1cccc(F)c1-n1ccc(CCl)n1
InChIInChI=1S/C10H7ClFN3O2/c11-6-7-4-5-14(13-7)10-8(12)2-1-3-9(10)15(16)17/h1-5H,6H2
InChIKeyLDQRZYIQZVIPNZ-UHFFFAOYSA-N
XLogP2.66
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole 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

N-[[1-(2-fluoro-6-nitrophenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 81311227
1-(2-fluoro-6-nitrophenyl)pyrazole-3-carboxylic acid
CID 81312471
3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole
CID 107646902
3-(chloromethyl)-1-(4-nitrophenyl)pyrazole
CID 13384024
2-[1-(2-nitrophenyl)pyrazol-3-yl]ethanamine
CID 116818117
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
1-[1-(2-fluoro-6-nitrophenyl)triazol-4-yl]butan-1-amine
CID 106227245
1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 75993954
N,2-difluoro-N-methyl-6-nitroaniline
CID 174676085
2-(3-chloropropyl)-1-fluoro-3-nitrobenzene
CID 118802068
4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole
CID 82783089
2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566561

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole?
The IUPAC name of 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole (CID 81311925) is 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole.
What is the SMILES notation for 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole?
The canonical SMILES for 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole is O=[N+]([O-])c1cccc(F)c1-n1ccc(CCl)n1.
What is the InChIKey of 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole?
The InChIKey is LDQRZYIQZVIPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c11-6-7-4-5-14(13-7)10-8(12)2-1-3-9(10)15(16)17/h1-5H,6H2.
What are the key properties of 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole?
3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole has a molecular weight of 255.64 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole is sourced from PubChem (CID 81311925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).