N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine

C12H12F2N4O2 — CID 62904621

IUPACN-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(Nc2c([N+](=O)[O-])ccc(F)c2F)cn1
InChIInChI=1S/C12H12F2N4O2/c1-7(2)17-6-8(5-15-17)16-12-10(18(19)20)4-3-9(13)11(12)14/h3-7,16H,1-2H3
InChIKeyNWUBWDYVALBPFU-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.39
Rot. Bonds4

About N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine

N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 62904621) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID62904621
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC NameN-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(Nc2c([N+](=O)[O-])ccc(F)c2F)cn1
InChIInChI=1S/C12H12F2N4O2/c1-7(2)17-6-8(5-15-17)16-12-10(18(19)20)4-3-9(13)11(12)14/h3-7,16H,1-2H3
InChIKeyNWUBWDYVALBPFU-UHFFFAOYSA-N
XLogP3.39
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.39
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-(4-chloro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 62902136
N-(4-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 115606693
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 66079345
N-(4-bromo-5-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 66112630
N-(3-methoxy-4-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 63669987
5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 83269281
5-nitro-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carbonitrile
CID 103471615
N-(3-fluoro-4-nitrophenyl)-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155747190
3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine
CID 66029667
N-[(4-bromo-3-nitrophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62903195
2,3-difluoro-6-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 62533475
N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-1-propan-2-ylpyrazol-4-amine
CID 133276004

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine (CID 62904621) is N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(Nc2c([N+](=O)[O-])ccc(F)c2F)cn1.
What is the InChIKey of N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is NWUBWDYVALBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-7(2)17-6-8(5-15-17)16-12-10(18(19)20)4-3-9(13)11(12)14/h3-7,16H,1-2H3.
What are the key properties of N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine?
N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 282.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62904621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).