trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride

C9H13ClF3N3 — CID 146195012

IUPACtrans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CC[C@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H12F3N3.ClH/c10-9(11,12)8-3-4-15(14-8)7-2-1-6(13)5-7;/h3-4,6-7H,1-2,5,13H2;1H/t6-,7-;/m0./s1
InChIKeyCHYRQPUVLUNQIZ-LEUCUCNGSA-N
MW255.67 g/mol
LogP2.38
Rot. Bonds1

About trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride

trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 146195012) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride
PubChem CID146195012
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Nametrans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CC[C@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H12F3N3.ClH/c10-9(11,12)8-3-4-15(14-8)7-2-1-6(13)5-7;/h3-4,6-7H,1-2,5,13H2;1H/t6-,7-;/m0./s1
InChIKeyCHYRQPUVLUNQIZ-LEUCUCNGSA-N
XLogP2.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride (CID 146195012) is trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride is Cl.N[C@H]1CC[C@H](n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is CHYRQPUVLUNQIZ-LEUCUCNGSA-N. The full InChI is InChI=1S/C9H12F3N3.ClH/c10-9(11,12)8-3-4-15(14-8)7-2-1-6(13)5-7;/h3-4,6-7H,1-2,5,13H2;1H/t6-,7-;/m0./s1.
What are the key properties of trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 146195012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).