N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine

C10H12F2N6O2 — CID 71978653

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccn(CC(F)F)n2)c1[N+](=O)[O-]
InChIInChI=1S/C10H12F2N6O2/c1-6-9(18(19)20)10(16(2)14-6)13-8-3-4-17(15-8)5-7(11)12/h3-4,7H,5H2,1-2H3,(H,13,15)
InChIKeyILIFKYVSNYOWKJ-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.84
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 71978653) has the molecular formula C10H12F2N6O2 and a molecular weight of 286.24 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID71978653
Molecular FormulaC10H12F2N6O2
Molecular Weight286.24 g/mol
Exact Mass286.10
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(Nc2ccn(CC(F)F)n2)c1[N+](=O)[O-]
InChIInChI=1S/C10H12F2N6O2/c1-6-9(18(19)20)10(16(2)14-6)13-8-3-4-17(15-8)5-7(11)12/h3-4,7H,5H2,1-2H3,(H,13,15)
InChIKeyILIFKYVSNYOWKJ-UHFFFAOYSA-N
XLogP1.84
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine (CID 71978653) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine is Cc1nn(C)c(Nc2ccn(CC(F)F)n2)c1[N+](=O)[O-].
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is ILIFKYVSNYOWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6O2/c1-6-9(18(19)20)10(16(2)14-6)13-8-3-4-17(15-8)5-7(11)12/h3-4,7H,5H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 286.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 71978653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).