(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine

C9H13F3N4 — CID 126677646

IUPAC(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
SMILESN[C@@]1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8(13)3-1-5-16(6-8)7-2-4-14-15-7/h2,4H,1,3,5-6,13H2,(H,14,15)/t8-/m0/s1
InChIKeyQSCKKJADTNVWPX-QMMMGPOBSA-N
MW234.22 g/mol
LogP1.27
Rot. Bonds1

About (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine

(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine (PubChem CID 126677646) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
PubChem CID126677646
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
SMILESN[C@@]1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8(13)3-1-5-16(6-8)7-2-4-14-15-7/h2,4H,1,3,5-6,13H2,(H,14,15)/t8-/m0/s1
InChIKeyQSCKKJADTNVWPX-QMMMGPOBSA-N
XLogP1.27
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine (CID 126677646) is (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine is N[C@@]1(C(F)(F)F)CCCN(c2ccn[nH]2)C1.
What is the InChIKey of (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine?
The InChIKey is QSCKKJADTNVWPX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8(13)3-1-5-16(6-8)7-2-4-14-15-7/h2,4H,1,3,5-6,13H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine?
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 126677646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).