1-phenyl-5-(trifluoromethyl)pyrazol-4-amine

C10H8F3N3 — CID 42609359

IUPAC1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-8(14)6-15-16(9)7-4-2-1-3-5-7/h1-6H,14H2
InChIKeyJKUJRUFZOBDQMP-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.47
Rot. Bonds1

About 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine

1-phenyl-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 42609359) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID42609359
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-8(14)6-15-16(9)7-4-2-1-3-5-7/h1-6H,14H2
InChIKeyJKUJRUFZOBDQMP-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine
CID 169213571
1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66440827
4-[4-amino-5-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 66442429
2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 164662725
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine
CID 115053464
1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658803
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
1-(2,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66441025
1-phenyl-5-propan-2-ylpyrazol-4-amine
CID 66424131
2-phenylethanamine;1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 158062941
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroacetic acid
CID 115053519

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine (CID 42609359) is 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine is Nc1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is JKUJRUFZOBDQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)9-8(14)6-15-16(9)7-4-2-1-3-5-7/h1-6H,14H2.
What are the key properties of 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine?
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 227.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 42609359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).