4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine

C11H11FN4O2 — CID 60877526

IUPAC4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11FN4O2/c1-2-7-10(14-15-11(7)13)8-5-6(12)3-4-9(8)16(17)18/h3-5H,2H2,1H3,(H3,13,14,15)
InChIKeyADNDLIRKFTWIDS-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.27
Rot. Bonds3

About 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine

4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine (PubChem CID 60877526) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
PubChem CID60877526
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11FN4O2/c1-2-7-10(14-15-11(7)13)8-5-6(12)3-4-9(8)16(17)18/h3-5H,2H2,1H3,(H3,13,14,15)
InChIKeyADNDLIRKFTWIDS-UHFFFAOYSA-N
XLogP2.27
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
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

4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine
CID 61292087
5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 107955144
5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 60875624
[4-ethyl-5-(5-fluoro-2-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593504
5-(2,3-dimethylphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670611
4-ethyl-3-(5-fluoro-2-nitrophenyl)-1,2,4-triazole
CID 115394724
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 107122508
5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 91756346
5-(2,3-dichlorophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670697
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321
5-fluoro-2-nitro-N-propylaniline
CID 50987928

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine (CID 60877526) is 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine?
The InChIKey is ADNDLIRKFTWIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-2-7-10(14-15-11(7)13)8-5-6(12)3-4-9(8)16(17)18/h3-5H,2H2,1H3,(H3,13,14,15).
What are the key properties of 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine?
4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine has a molecular weight of 250.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 60877526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).