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

C13H22F3N5 — CID 66010770

IUPAC1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C13H22F3N5/c1-9(2)11-10(17)12(19(3)18-11)21-6-4-20(5-7-21)8-13(14,15)16/h9H,4-8,17H2,1-3H3
InChIKeyPNYDWUBJUBCOLI-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.81
Rot. Bonds3

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

1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (PubChem CID 66010770) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
PubChem CID66010770
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C13H22F3N5/c1-9(2)11-10(17)12(19(3)18-11)21-6-4-20(5-7-21)8-13(14,15)16/h9H,4-8,17H2,1-3H3
InChIKeyPNYDWUBJUBCOLI-UHFFFAOYSA-N
XLogP1.81
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (CID 66010770) is 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is CC(C)c1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The InChIKey is PNYDWUBJUBCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-9(2)11-10(17)12(19(3)18-11)21-6-4-20(5-7-21)8-13(14,15)16/h9H,4-8,17H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine has a molecular weight of 305.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66010770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).