N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine

C10H16F2N4O3 — CID 103081299

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NCCOCC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H16F2N4O3/c1-3-7-9(16(17)18)10(15(2)14-7)13-4-5-19-6-8(11)12/h8,13H,3-6H2,1-2H3
InChIKeyNZCQMEMZPLGEBH-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.58
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine (PubChem CID 103081299) has the molecular formula C10H16F2N4O3 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine
PubChem CID103081299
Molecular FormulaC10H16F2N4O3
Molecular Weight278.26 g/mol
Exact Mass278.12
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NCCOCC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H16F2N4O3/c1-3-7-9(16(17)18)10(15(2)14-7)13-4-5-19-6-8(11)12/h8,13H,3-6H2,1-2H3
InChIKeyNZCQMEMZPLGEBH-UHFFFAOYSA-N
XLogP1.58
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine (CID 103081299) is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine is CCc1nn(C)c(NCCOCC(F)F)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The InChIKey is NZCQMEMZPLGEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O3/c1-3-7-9(16(17)18)10(15(2)14-7)13-4-5-19-6-8(11)12/h8,13H,3-6H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine has a molecular weight of 278.26 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 103081299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).