4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

C10H7F3N4O2 — CID 81254783

IUPAC4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)6-1-3-7(4-2-6)16-9(14)8(5-15-16)17(18)19/h1-5H,14H2
InChIKeyYMZRIVSLPKSKOU-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.38
Rot. Bonds2

About 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 81254783) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID81254783
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)6-1-3-7(4-2-6)16-9(14)8(5-15-16)17(18)19/h1-5H,14H2
InChIKeyYMZRIVSLPKSKOU-UHFFFAOYSA-N
XLogP2.38
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.38
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'}

Analyze 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-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

Related Compounds

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
CID 219732
1-(2-fluorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3813351
5-Amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile
CID 2797272
4-(3-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 2764842
4-(4-Methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 2764846
4-(2-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 3831208
1-(3-nitrophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 4261884
N-methyl-1-(4-methylphenyl)-4-nitro-1H-pyrazol-5-amine
CID 4318318
N-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine
CID 5175735
Mls003115451
CID 321721
1-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 12678771
3-(methylamino)-4-nitro-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-1-carboxamide
CID 5150774

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 81254783) is 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is Nc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is YMZRIVSLPKSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)6-1-3-7(4-2-6)16-9(14)8(5-15-16)17(18)19/h1-5H,14H2.
What are the key properties of 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 272.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 81254783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).