1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine

C9H7F3N4 — CID 169213571

IUPAC1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccnc2)c1C(F)(F)F
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-7(13)5-15-16(8)6-2-1-3-14-4-6/h1-5H,13H2
InChIKeyGEBUBYKMFDDIGL-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.87
Rot. Bonds1

About 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine

1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 169213571) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID169213571
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccnc2)c1C(F)(F)F
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-7(13)5-15-16(8)6-2-1-3-14-4-6/h1-5H,13H2
InChIKeyGEBUBYKMFDDIGL-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66440827
4-[4-amino-5-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 66442429
1-pyridin-3-yl-4-(trifluoromethyl)indazole
CID 90252813
sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate
CID 121302296
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515
3-amino-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
CID 167134497
1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658803
1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-3-ylmethanamine
CID 159637242
1-(2,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66441025
3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine
CID 174760347
3-(5-chloro-4-methylpyrazol-1-yl)pyridine
CID 19757098

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine (CID 169213571) is 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine is Nc1cnn(-c2cccnc2)c1C(F)(F)F.
What is the InChIKey of 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is GEBUBYKMFDDIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)8-7(13)5-15-16(8)6-2-1-3-14-4-6/h1-5H,13H2.
What are the key properties of 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine?
1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 228.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 169213571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).