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

C9H13ClF3N3 — CID 146195015

IUPAC3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCC(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
InChIKeyCHYRQPUVLUNQIZ-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.38
Rot. Bonds1

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

3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 146195015) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride
PubChem CID146195015
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCC(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
InChIKeyCHYRQPUVLUNQIZ-UHFFFAOYSA-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 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride (CID 146195015) is 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1CCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is CHYRQPUVLUNQIZ-UHFFFAOYSA-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.
What are the key properties of 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride?
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 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 146195015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).