5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine

C10H15F3N4 — CID 135306123

IUPAC5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(CC(F)(F)F)CC2)[nH]n1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-17-3-1-7(2-4-17)8-5-9(14)16-15-8/h5,7H,1-4,6H2,(H3,14,15,16)
InChIKeySJBBASQDXCSMPY-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.73
Rot. Bonds2

About 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 135306123) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID135306123
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(CC(F)(F)F)CC2)[nH]n1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-17-3-1-7(2-4-17)8-5-9(14)16-15-8/h5,7H,1-4,6H2,(H3,14,15,16)
InChIKeySJBBASQDXCSMPY-UHFFFAOYSA-N
XLogP1.73
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine (CID 135306123) is 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(CC(F)(F)F)CC2)[nH]n1.
What is the InChIKey of 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is SJBBASQDXCSMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)6-17-3-1-7(2-4-17)8-5-9(14)16-15-8/h5,7H,1-4,6H2,(H3,14,15,16).
What are the key properties of 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 248.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 135306123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).