5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine

C11H17F3N4 — CID 118170917

IUPAC5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCc1c(N)c(C(F)(F)F)nn1CC1CCNCC1
InChIInChI=1S/C11H17F3N4/c1-7-9(15)10(11(12,13)14)17-18(7)6-8-2-4-16-5-3-8/h8,16H,2-6,15H2,1H3
InChIKeyCGTZPLDJPFXRRM-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.79
Rot. Bonds2

About 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine

5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 118170917) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID118170917
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCc1c(N)c(C(F)(F)F)nn1CC1CCNCC1
InChIInChI=1S/C11H17F3N4/c1-7-9(15)10(11(12,13)14)17-18(7)6-8-2-4-16-5-3-8/h8,16H,2-6,15H2,1H3
InChIKeyCGTZPLDJPFXRRM-UHFFFAOYSA-N
XLogP1.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine (CID 118170917) is 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine is Cc1c(N)c(C(F)(F)F)nn1CC1CCNCC1.
What is the InChIKey of 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is CGTZPLDJPFXRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-7-9(15)10(11(12,13)14)17-18(7)6-8-2-4-16-5-3-8/h8,16H,2-6,15H2,1H3.
What are the key properties of 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine?
5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 262.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 118170917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).