N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine

C11H10F2N4O2 — CID 103828470

IUPACN-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C11H10F2N4O2/c1-2-16-6-7(5-14-16)15-11-9(12)3-8(17(18)19)4-10(11)13/h3-6,15H,2H2,1H3
InChIKeyRFXYUENDZPDLEB-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.83
Rot. Bonds4

About N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine

N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine (PubChem CID 103828470) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine
PubChem CID103828470
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC NameN-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C11H10F2N4O2/c1-2-16-6-7(5-14-16)15-11-9(12)3-8(17(18)19)4-10(11)13/h3-6,15H,2H2,1H3
InChIKeyRFXYUENDZPDLEB-UHFFFAOYSA-N
XLogP2.83
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
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

N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 104917216
2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide
CID 86780545
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543267
N-(1-ethylpyrazol-4-yl)-3,5-difluoropyridin-2-amine
CID 112675617
ethyl 2-(1-ethylpyrazol-4-yl)-3-fluoro-5-nitrobenzoate
CID 150137502
1-ethyl-N-(5-methylsulfonyl-3-nitrothiophen-2-yl)pyrazol-4-amine
CID 75502353
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-5-nitroaniline
CID 116805883
2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-nitroaniline
CID 103828468
N-[(1-ethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103569272
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine (CID 103828470) is N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine is CCn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1.
What is the InChIKey of N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
The InChIKey is RFXYUENDZPDLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c1-2-16-6-7(5-14-16)15-11-9(12)3-8(17(18)19)4-10(11)13/h3-6,15H,2H2,1H3.
What are the key properties of N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine?
N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine has a molecular weight of 268.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 103828470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).