1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine

C12H11F3N4O2 — CID 133423152

IUPAC1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1C
InChIInChI=1S/C12H11F3N4O2/c1-7-5-11(17-18(7)2)16-9-4-3-8(12(13,14)15)6-10(9)19(20)21/h3-6H,1-2H3,(H,16,17)
InChIKeyJYTCPCRVCYTGHT-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.40
Rot. Bonds3

About 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine

1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 133423152) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID133423152
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1C
InChIInChI=1S/C12H11F3N4O2/c1-7-5-11(17-18(7)2)16-9-4-3-8(12(13,14)15)6-10(9)19(20)21/h3-6H,1-2H3,(H,16,17)
InChIKeyJYTCPCRVCYTGHT-UHFFFAOYSA-N
XLogP3.40
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.40
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 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-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

N-(4-methylphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 3090532
methyl (E)-3-[4-[(1,5-dimethylpyrazol-3-yl)amino]-3-nitrophenyl]prop-2-enoate
CID 133423198
N-[(1-methylpyrazol-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 82873869
2-nitro-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 71380493
N-[(E)-ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 173369416
N-[4-[2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
CID 4657864
N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
CID 115574116
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
N-(1-methylcyclopropyl)-2-nitro-4-(trifluoromethyl)aniline
CID 113485572
2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole
CID 166102309
3-[2-nitro-4-(trifluoromethyl)anilino]phenol
CID 4763940
N-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophen-2-amine
CID 141007017

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 133423152) is 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine is Cc1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is JYTCPCRVCYTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-7-5-11(17-18(7)2)16-9-4-3-8(12(13,14)15)6-10(9)19(20)21/h3-6H,1-2H3,(H,16,17).
What are the key properties of 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine?
1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 300.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 133423152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).