1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine

C10H15F3N4 — CID 118365664

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2
InChIKeyOSJRAPXOJNVWOK-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.66
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 118365664) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
PubChem CID118365664
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2
InChIKeyOSJRAPXOJNVWOK-UHFFFAOYSA-N
XLogP1.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethyl]-1H-pyrazol-4-amine
CID 42281880
1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 7015918
1-(Propan-2-yl)-1H-pyrazol-4-amine
CID 13469826
1-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 19576663
1-(Butan-2-yl)-1H-pyrazol-4-amine
CID 43209204
1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine--hydrogen chloride (1/1)
CID 44630918
1-(difluoromethyl)-1H-pyrazol-4-amine hydrochloride
CID 47002394
1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 54593547
1-cyclobutyl-1H-pyrazol-4-amine
CID 55284978
1-(1-methyl-1H-pyrazol-4-yl)piperazine
CID 56828582
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 64270757
1-((1-Methylpiperidin-3-yl)methyl)-1h-pyrazol-4-amine
CID 67113476

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine (CID 118365664) is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine is Nc1cnn(C2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is OSJRAPXOJNVWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 248.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 118365664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).