1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine

C13H21F3N4 — CID 66013523

IUPAC1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C13H21F3N4/c1-8(2)11-10(17)12(19(3)18-11)20-6-4-9(5-7-20)13(14,15)16/h8-9H,4-7,17H2,1-3H3
InChIKeyOZNAERZVAPVSRB-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.90
Rot. Bonds2

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

1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (PubChem CID 66013523) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
PubChem CID66013523
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C13H21F3N4/c1-8(2)11-10(17)12(19(3)18-11)20-6-4-9(5-7-20)13(14,15)16/h8-9H,4-7,17H2,1-3H3
InChIKeyOZNAERZVAPVSRB-UHFFFAOYSA-N
XLogP2.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (CID 66013523) is 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is CC(C)c1nn(C)c(N2CCC(C(F)(F)F)CC2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The InChIKey is OZNAERZVAPVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-8(2)11-10(17)12(19(3)18-11)20-6-4-9(5-7-20)13(14,15)16/h8-9H,4-7,17H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine has a molecular weight of 290.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66013523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).