1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine

C9H7F3N4 — CID 134821905

IUPAC1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
SMILESNc1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-3-7(1-2-14-8)16-5-6(13)4-15-16/h1-5H,13H2
InChIKeyMLHJLJJZJMRMPV-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.87
Rot. Bonds1

About 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine

1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine (PubChem CID 134821905) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
PubChem CID134821905
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
SMILESNc1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-3-7(1-2-14-8)16-5-6(13)4-15-16/h1-5H,13H2
InChIKeyMLHJLJJZJMRMPV-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

2-(trifluoromethyl)pyridin-4-amine
CID 10261388
1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine
CID 170699249
(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine
CID 177051594
1-(3-bromophenyl)pyrazol-4-amine
CID 43542774
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012
1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
CID 153285852
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonyl chloride
CID 170968840
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine (CID 134821905) is 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine is Nc1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine?
The InChIKey is MLHJLJJZJMRMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)8-3-7(1-2-14-8)16-5-6(13)4-15-16/h1-5H,13H2.
What are the key properties of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine?
1-[2-(trifluoromethyl)-4-pyridinyl]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-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine is sourced from PubChem (CID 134821905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).