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

C12H19F3N4 — CID 145427830

IUPAC5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine
SMILESCc1cc(N)n(CC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H19F3N4/c1-9-6-11(16)19(17-9)7-10-2-4-18(5-3-10)8-12(13,14)15/h6,10H,2-5,7-8,16H2,1H3
InChIKeyHKDFRUVYLJXSIB-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.05
Rot. Bonds3

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

5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine (PubChem CID 145427830) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine
PubChem CID145427830
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine
SMILESCc1cc(N)n(CC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H19F3N4/c1-9-6-11(16)19(17-9)7-10-2-4-18(5-3-10)8-12(13,14)15/h6,10H,2-5,7-8,16H2,1H3
InChIKeyHKDFRUVYLJXSIB-UHFFFAOYSA-N
XLogP2.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine (CID 145427830) is 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine is Cc1cc(N)n(CC2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine?
The InChIKey is HKDFRUVYLJXSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-9-6-11(16)19(17-9)7-10-2-4-18(5-3-10)8-12(13,14)15/h6,10H,2-5,7-8,16H2,1H3.
What are the key properties of 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine?
5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine has a molecular weight of 276.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 145427830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).