5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine

C10H6F5N3 — CID 79200172

IUPAC5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2cc(F)c(F)c(F)c2)c1C(F)F
InChIInChI=1S/C10H6F5N3/c11-5-1-4(2-6(12)8(5)13)18-9(10(14)15)7(16)3-17-18/h1-3,10H,16H2
InChIKeySPVWOPWSFAZXBD-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.81
Rot. Bonds2

About 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine

5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine (PubChem CID 79200172) has the molecular formula C10H6F5N3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine
PubChem CID79200172
Molecular FormulaC10H6F5N3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2cc(F)c(F)c(F)c2)c1C(F)F
InChIInChI=1S/C10H6F5N3/c11-5-1-4(2-6(12)8(5)13)18-9(10(14)15)7(16)3-17-18/h1-3,10H,16H2
InChIKeySPVWOPWSFAZXBD-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200265
5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 66441226
5-amino-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 79194059
5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 113373696
4-(chloromethyl)-5-propyl-1-(3,4,5-trifluorophenyl)pyrazole
CID 79200085
1-phenyl-5-propan-2-ylpyrazol-4-amine
CID 66424131
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
CID 66424137
[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200351
1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine
CID 66441034
N-[1-[5-methyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79204322
5-amino-3-(propan-2-ylamino)-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 102796740
5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol
CID 163233880

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine (CID 79200172) is 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine is Nc1cnn(-c2cc(F)c(F)c(F)c2)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine?
The InChIKey is SPVWOPWSFAZXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5N3/c11-5-1-4(2-6(12)8(5)13)18-9(10(14)15)7(16)3-17-18/h1-3,10H,16H2.
What are the key properties of 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine?
5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine has a molecular weight of 263.17 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 79200172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).