1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine

C7H8F4N4O2 — CID 106293717

IUPAC1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N4O2/c1-14-2-4(15(16)17)5(13-14)12-3-7(10,11)6(8)9/h2,6H,3H2,1H3,(H,12,13)
InChIKeyUXIXNXBXAFMAAI-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.64
Rot. Bonds5

About 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine

1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine (PubChem CID 106293717) has the molecular formula C7H8F4N4O2 and a molecular weight of 256.16 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
PubChem CID106293717
Molecular FormulaC7H8F4N4O2
Molecular Weight256.16 g/mol
Exact Mass256.06
IUPAC Name1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N4O2/c1-14-2-4(15(16)17)5(13-14)12-3-7(10,11)6(8)9/h2,6H,3H2,1H3,(H,12,13)
InChIKeyUXIXNXBXAFMAAI-UHFFFAOYSA-N
XLogP1.64
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.64
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(1-methyl-4-nitropyrazol-3-yl)propane-1,2-diamine
CID 103079835
1-methyl-4-nitro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine
CID 103079896
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293565
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
CID 107153465
N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213
3-methyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]butan-1-ol
CID 103080149
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline
CID 106293604

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine (CID 106293717) is 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine is Cn1cc([N+](=O)[O-])c(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The InChIKey is UXIXNXBXAFMAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O2/c1-14-2-4(15(16)17)5(13-14)12-3-7(10,11)6(8)9/h2,6H,3H2,1H3,(H,12,13).
What are the key properties of 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine has a molecular weight of 256.16 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 106293717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).