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

C10H15F3N4O3 — CID 107484493

IUPAC2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nn(C)c(N(CCO)CC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H15F3N4O3/c1-3-7-8(17(19)20)9(15(2)14-7)16(4-5-18)6-10(11,12)13/h18H,3-6H2,1-2H3
InChIKeySOMFAEPGBKMRTR-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.25
Rot. Bonds6

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

2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484493) has the molecular formula C10H15F3N4O3 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484493
Molecular FormulaC10H15F3N4O3
Molecular Weight296.25 g/mol
Exact Mass296.11
IUPAC Name2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nn(C)c(N(CCO)CC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H15F3N4O3/c1-3-7-8(17(19)20)9(15(2)14-7)16(4-5-18)6-10(11,12)13/h18H,3-6H2,1-2H3
InChIKeySOMFAEPGBKMRTR-UHFFFAOYSA-N
XLogP1.25
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.25
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'}

Analyze 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849
N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79665850
2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
CID 66015955
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66015352
3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]-2-methylpropanoic acid
CID 66015351
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439
2-[3-methyl-5-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107484511
2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017329
2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484546
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484493) is 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCc1nn(C)c(N(CCO)CC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is SOMFAEPGBKMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3/c1-3-7-8(17(19)20)9(15(2)14-7)16(4-5-18)6-10(11,12)13/h18H,3-6H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).