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

C12H19F3N4 — CID 66012484

IUPAC1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4/c1-3-19-11(10(16)8(2)17-19)18-6-4-9(5-7-18)12(13,14)15/h9H,3-7,16H2,1-2H3
InChIKeyLBMIZKXVUBAOBF-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.57
Rot. Bonds2

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

1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (PubChem CID 66012484) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
PubChem CID66012484
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4/c1-3-19-11(10(16)8(2)17-19)18-6-4-9(5-7-18)12(13,14)15/h9H,3-7,16H2,1-2H3
InChIKeyLBMIZKXVUBAOBF-UHFFFAOYSA-N
XLogP2.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (CID 66012484) is 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is CCn1nc(C)c(N)c1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The InChIKey is LBMIZKXVUBAOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-3-19-11(10(16)8(2)17-19)18-6-4-9(5-7-18)12(13,14)15/h9H,3-7,16H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine has a molecular weight of 276.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66012484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).