(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C11H15F3N4O — CID 65356023

IUPAC(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O/c1-17-9(8(15)5-16-17)10(19)18-4-2-3-7(6-18)11(12,13)14/h5,7H,2-4,6,15H2,1H3
InChIKeyUPIXPPBTRGGAOO-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.42
Rot. Bonds1

About (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 65356023) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID65356023
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O/c1-17-9(8(15)5-16-17)10(19)18-4-2-3-7(6-18)11(12,13)14/h5,7H,2-4,6,15H2,1H3
InChIKeyUPIXPPBTRGGAOO-UHFFFAOYSA-N
XLogP1.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 65359274
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335
(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102753
(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236470
2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857155
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569
(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 171384981
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 65356023) is (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cn1ncc(N)c1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is UPIXPPBTRGGAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-17-9(8(15)5-16-17)10(19)18-4-2-3-7(6-18)11(12,13)14/h5,7H,2-4,6,15H2,1H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 276.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 65356023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).