4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole

C17H14FN3O4 — CID 141188345

IUPAC4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(Oc3ccc([N+](=O)[O-])cc3F)cn2)cc1
InChIInChI=1S/C17H14FN3O4/c1-24-14-5-2-12(3-6-14)10-20-11-15(9-19-20)25-17-7-4-13(21(22)23)8-16(17)18/h2-9,11H,10H2,1H3
InChIKeyOPHZMOANXQFLQD-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.78
Rot. Bonds6

About 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole

4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 141188345) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID141188345
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(Oc3ccc([N+](=O)[O-])cc3F)cn2)cc1
InChIInChI=1S/C17H14FN3O4/c1-24-14-5-2-12(3-6-14)10-20-11-15(9-19-20)25-17-7-4-13(21(22)23)8-16(17)18/h2-9,11H,10H2,1H3
InChIKeyOPHZMOANXQFLQD-UHFFFAOYSA-N
XLogP3.78
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
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'}

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Related Compounds

4-Fluoro-5-(2-methoxy-5-nitro-phenyl)-1-methyl-1H-pyrazole
CID 23139430
5-[4-(2-Fluoro-4-nitrophenoxy)biphenyl-3-yl]-1-methyl-1H-pyrazole
CID 58042274
3-[2-[(2,6-Difluorophenyl)methoxy]-5-nitrophenyl]-4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazole
CID 58691554
3-[4-(2-fluoro-4-nitrophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide
CID 59501953
5-Ethyl-4-(2-fluoro-4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
CID 67231170
1-(3-Benzyloxy-4-nitrobenzyl)-3-trifluoromethyl-1H-pyrazole
CID 68842349
4-(Difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole
CID 70819487
3-(2-Fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 70981901
4-Tert-butyl-3-[2-[(2,6-difluorophenyl)methoxy]-5-nitrophenyl]-1-methylpyrazole
CID 71110601
3-((3-Fluoro-4-nitrophenoxy)methyl)-1-methyl-1H-pyrazole
CID 82881970
4-(2-Fluoro-4-nitrophenoxy)-1-methylpyrazole
CID 86816262
N-[1-[4-(1,1-difluoroethoxy)phenyl]ethenyl]-1-[5-methyl-1-[(3-nitrophenyl)methyl]pyrazol-3-yl]ethanimine
CID 89070691

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole (CID 141188345) is 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2cc(Oc3ccc([N+](=O)[O-])cc3F)cn2)cc1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is OPHZMOANXQFLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-24-14-5-2-12(3-6-14)10-20-11-15(9-19-20)25-17-7-4-13(21(22)23)8-16(17)18/h2-9,11H,10H2,1H3.
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole?
4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 343.31 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 141188345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).