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

C11H9F3N4O2 — CID 3652451

IUPACN-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O2/c1-15-10-9(18(19)20)6-16-17(10)8-4-2-7(3-5-8)11(12,13)14/h2-6,15H,1H3
InChIKeyRLBGHGRMAHSYQM-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.84
Rot. Bonds3

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

N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 3652451) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID3652451
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC NameN-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N4O2/c1-15-10-9(18(19)20)6-16-17(10)8-4-2-7(3-5-8)11(12,13)14/h2-6,15H,1H3
InChIKeyRLBGHGRMAHSYQM-UHFFFAOYSA-N
XLogP2.84
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.84
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'}

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Related Compounds

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
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
1-(4-chlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3608254
1-(2-chlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3420968
3-(methylamino)-4-nitro-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-1-carboxamide
CID 5150774
1-(4-fluorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3791257
6-methyl-N-(4-methylphenyl)-2-(4-nitro-1H-pyrazol-1-yl)pyrimidin-4-amine
CID 7192963
Nipyraclofen
CID 175845
5-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
CID 5714684
5-Amino-1-benzyl-4-nitrosopyrazole
CID 11149124

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 3652451) is N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is CNc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is RLBGHGRMAHSYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-15-10-9(18(19)20)6-16-17(10)8-4-2-7(3-5-8)11(12,13)14/h2-6,15H,1H3.
What are the key properties of N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 286.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 3652451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).