N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H17F3N4 — CID 54921206

IUPACN-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1ccc(NC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N4/c1-17-5-4-10(16-17)15-9-2-6-18(7-3-9)8-11(12,13)14/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyZUDHWQNFAPEZLU-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.86
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54921206) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54921206
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1ccc(NC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N4/c1-17-5-4-10(16-17)15-9-2-6-18(7-3-9)8-11(12,13)14/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyZUDHWQNFAPEZLU-UHFFFAOYSA-N
XLogP1.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
CID 1084924
2-Piperidin-4-yl-2H-pyrazol-3-ylamine
CID 649859
N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
1-(1-Methyl-4-piperidinyl)-1H-pyrazol-3-amine
CID 84657588
7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135624510
5-Cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767315
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
5-[3-(2-[2,2,2-Trifluoroethyl]guanidino)pyrazol-1-yl]valeronitrile
CID 13883780
1-[1-(4-Cyanobutan-2-yl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20451294
5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidamide
CID 21279840

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54921206) is N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cn1ccc(NC2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is ZUDHWQNFAPEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-17-5-4-10(16-17)15-9-2-6-18(7-3-9)8-11(12,13)14/h4-5,9H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 262.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54921206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).