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

C10H15F3N4 — CID 89456703

IUPAC1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCn1ncc(N)c1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N4/c1-16-9(8(14)5-15-16)17-4-2-3-7(6-17)10(11,12)13/h5,7H,2-4,6,14H2,1H3
InChIKeyOSCNZYOYHMTFDF-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.78
Rot. Bonds1

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

1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (PubChem CID 89456703) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
PubChem CID89456703
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCn1ncc(N)c1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N4/c1-16-9(8(14)5-15-16)17-4-2-3-7(6-17)10(11,12)13/h5,7H,2-4,6,14H2,1H3
InChIKeyOSCNZYOYHMTFDF-UHFFFAOYSA-N
XLogP1.78
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (CID 89456703) is 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is Cn1ncc(N)c1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The InChIKey is OSCNZYOYHMTFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-16-9(8(14)5-15-16)17-4-2-3-7(6-17)10(11,12)13/h5,7H,2-4,6,14H2,1H3.
What are the key properties of 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine has a molecular weight of 248.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 89456703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).