(3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine

C10H15F3N4 — CID 141444679

IUPAC(3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCn1nccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H15F3N4/c1-16-9(2-3-15-16)17-5-7(10(11,12)13)4-8(14)6-17/h2-3,7-8H,4-6,14H2,1H3/t7-,8+/m1/s1
InChIKeyJZMVZOIZKJIHBQ-SFYZADRCSA-N
MW248.25 g/mol
LogP1.14
Rot. Bonds1

About (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine

(3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 141444679) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine
PubChem CID141444679
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name(3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCn1nccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H15F3N4/c1-16-9(2-3-15-16)17-5-7(10(11,12)13)4-8(14)6-17/h2-3,7-8H,4-6,14H2,1H3/t7-,8+/m1/s1
InChIKeyJZMVZOIZKJIHBQ-SFYZADRCSA-N
XLogP1.14
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 ≤ 51.14
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
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-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
1-(2-Methylpyrazol-3-yl)piperazine
CID 63963094
(+/-)-1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-amine
CID 86680081
1-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 89456703
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677628
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677646
4-propan-2-yl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134571874
4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134571902

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine (CID 141444679) is (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine is Cn1nccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is JZMVZOIZKJIHBQ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-16-9(2-3-15-16)17-5-7(10(11,12)13)4-8(14)6-17/h2-3,7-8H,4-6,14H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
(3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 248.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 141444679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).