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

C11H17F3N4 — CID 69281539

IUPAC3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESCc1nn(C2CCN(CC(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H17F3N4/c1-8-10(15)6-18(16-8)9-2-4-17(5-3-9)7-11(12,13)14/h6,9H,2-5,7,15H2,1H3
InChIKeyJRLRQEKYXONMEY-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.97
Rot. Bonds2

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

3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 69281539) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
PubChem CID69281539
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESCc1nn(C2CCN(CC(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H17F3N4/c1-8-10(15)6-18(16-8)9-2-4-17(5-3-9)7-11(12,13)14/h6,9H,2-5,7,15H2,1H3
InChIKeyJRLRQEKYXONMEY-UHFFFAOYSA-N
XLogP1.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine (CID 69281539) is 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine is Cc1nn(C2CCN(CC(F)(F)F)CC2)cc1N.
What is the InChIKey of 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is JRLRQEKYXONMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-8-10(15)6-18(16-8)9-2-4-17(5-3-9)7-11(12,13)14/h6,9H,2-5,7,15H2,1H3.
What are the key properties of 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 262.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 69281539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).