3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole

C14H16FN3O3 — CID 107260689

IUPAC3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole
SMILESCCc1cc(CC)n(-c2cc(OC)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C14H16FN3O3/c1-4-9-6-10(5-2)17(16-9)12-8-14(21-3)13(18(19)20)7-11(12)15/h6-8H,4-5H2,1-3H3
InChIKeyWWLMJBXSCJFNPG-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.05
Rot. Bonds5

About 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole

3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole (PubChem CID 107260689) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole
PubChem CID107260689
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole
SMILESCCc1cc(CC)n(-c2cc(OC)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C14H16FN3O3/c1-4-9-6-10(5-2)17(16-9)12-8-14(21-3)13(18(19)20)7-11(12)15/h6-8H,4-5H2,1-3H3
InChIKeyWWLMJBXSCJFNPG-UHFFFAOYSA-N
XLogP3.05
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
2-[1-(2-fluoro-5-methoxy-4-nitrophenyl)imidazol-2-yl]ethanamine
CID 107260674
2-[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-2-yl]ethanamine
CID 107260476
3,5-diethyl-1-(2-iodo-4-nitrophenyl)pyrazole
CID 82698964
[1-(2-fluoro-5-methoxy-4-nitrophenyl)-5-methylpyrrolidin-3-yl]methanamine
CID 107260534
1-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260518
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidine
CID 133448726
[1-(2-fluoro-5-methoxy-4-nitrophenyl)-6-methylpiperidin-3-yl]methanamine
CID 107260481
1-[1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 107260531
[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-yl]methanamine
CID 107260440

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole?
The IUPAC name of 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole (CID 107260689) is 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole.
What is the SMILES notation for 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole?
The canonical SMILES for 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole is CCc1cc(CC)n(-c2cc(OC)c([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole?
The InChIKey is WWLMJBXSCJFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-4-9-6-10(5-2)17(16-9)12-8-14(21-3)13(18(19)20)7-11(12)15/h6-8H,4-5H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole?
3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole has a molecular weight of 293.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrazole is sourced from PubChem (CID 107260689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).