N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine

C11H17F3N4 — CID 147227911

IUPACN-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C1CCN(C)CC1
InChIInChI=1S/C11H17F3N4/c1-15-10-7-9(11(12,13)14)16-18(10)8-3-5-17(2)6-4-8/h7-8,15H,3-6H2,1-2H3
InChIKeyCIIIIMLWSHAAHV-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.21
Rot. Bonds2

About N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine

N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 147227911) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID147227911
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C1CCN(C)CC1
InChIInChI=1S/C11H17F3N4/c1-15-10-7-9(11(12,13)14)16-18(10)8-3-5-17(2)6-4-8/h7-8,15H,3-6H2,1-2H3
InChIKeyCIIIIMLWSHAAHV-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 147227911) is N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine is CNc1cc(C(F)(F)F)nn1C1CCN(C)CC1.
What is the InChIKey of N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is CIIIIMLWSHAAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-15-10-7-9(11(12,13)14)16-18(10)8-3-5-17(2)6-4-8/h7-8,15H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 262.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 147227911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).