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

C13H21F3N4 — CID 66023944

IUPAC3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCc1nn(C(C)C)c(N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C13H21F3N4/c1-8(2)20-12(11(17)9(3)18-20)19-6-4-10(5-7-19)13(14,15)16/h8,10H,4-7,17H2,1-3H3
InChIKeyJLXIPPOYJZTMHC-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.13
Rot. Bonds2

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

3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (PubChem CID 66023944) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
PubChem CID66023944
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCc1nn(C(C)C)c(N2CCC(C(F)(F)F)CC2)c1N
InChIInChI=1S/C13H21F3N4/c1-8(2)20-12(11(17)9(3)18-20)19-6-4-10(5-7-19)13(14,15)16/h8,10H,4-7,17H2,1-3H3
InChIKeyJLXIPPOYJZTMHC-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (CID 66023944) is 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is Cc1nn(C(C)C)c(N2CCC(C(F)(F)F)CC2)c1N.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The InChIKey is JLXIPPOYJZTMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-8(2)20-12(11(17)9(3)18-20)19-6-4-10(5-7-19)13(14,15)16/h8,10H,4-7,17H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine has a molecular weight of 290.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66023944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).