N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H17F3N4 — CID 54897443

IUPACN-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2cn[nH]c2)CC1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)8-18-3-1-10(2-4-18)15-5-9-6-16-17-7-9/h6-7,10,15H,1-5,8H2,(H,16,17)
InChIKeyQMORMHYNKBTUQA-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.53
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54897443) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54897443
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2cn[nH]c2)CC1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)8-18-3-1-10(2-4-18)15-5-9-6-16-17-7-9/h6-7,10,15H,1-5,8H2,(H,16,17)
InChIKeyQMORMHYNKBTUQA-UHFFFAOYSA-N
XLogP1.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54897443) is N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2cn[nH]c2)CC1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is QMORMHYNKBTUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c12-11(13,14)8-18-3-1-10(2-4-18)15-5-9-6-16-17-7-9/h6-7,10,15H,1-5,8H2,(H,16,17).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 262.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54897443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).