2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol

C10H16F2N4O3 — CID 107484199

IUPAC2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
SMILESCCc1nn(C)c(N(CCO)CC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H16F2N4O3/c1-3-7-9(16(18)19)10(14(2)13-7)15(4-5-17)6-8(11)12/h8,17H,3-6H2,1-2H3
InChIKeyCMGZXWPMEFKZCE-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.95
Rot. Bonds7

About 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol

2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol (PubChem CID 107484199) has the molecular formula C10H16F2N4O3 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
PubChem CID107484199
Molecular FormulaC10H16F2N4O3
Molecular Weight278.26 g/mol
Exact Mass278.12
IUPAC Name2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
SMILESCCc1nn(C)c(N(CCO)CC(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H16F2N4O3/c1-3-7-9(16(18)19)10(14(2)13-7)15(4-5-17)6-8(11)12/h8,17H,3-6H2,1-2H3
InChIKeyCMGZXWPMEFKZCE-UHFFFAOYSA-N
XLogP0.95
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol (CID 107484199) is 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol is CCc1nn(C)c(N(CCO)CC(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
The InChIKey is CMGZXWPMEFKZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O3/c1-3-7-9(16(18)19)10(14(2)13-7)15(4-5-17)6-8(11)12/h8,17H,3-6H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol has a molecular weight of 278.26 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol is sourced from PubChem (CID 107484199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).