N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide

C18H15FN4O4 — CID 19285871

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15FN4O4/c1-27-16-7-6-12(10-15(16)23(25)26)18(24)20-17-8-9-22(21-17)11-13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,20,21,24)
InChIKeyWUIGYUYACMJNQK-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.24
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide (PubChem CID 19285871) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
PubChem CID19285871
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15FN4O4/c1-27-16-7-6-12(10-15(16)23(25)26)18(24)20-17-8-9-22(21-17)11-13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,20,21,24)
InChIKeyWUIGYUYACMJNQK-UHFFFAOYSA-N
XLogP3.24
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.24
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'}

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19285650
2-(2-fluorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61077891
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 998871
3,4-dimethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286906
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19287050
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 47027812
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 19345270
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-methoxy-3-nitrobenzamide
CID 52688566
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286039
N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 17318148
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19337178

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide (CID 19285871) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)cc1[N+](=O)[O-].
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
The InChIKey is WUIGYUYACMJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c1-27-16-7-6-12(10-15(16)23(25)26)18(24)20-17-8-9-22(21-17)11-13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,20,21,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide has a molecular weight of 370.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 19285871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).