2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

C9H12F3N3O — CID 79872621

IUPAC2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESNc1cc(C(F)(F)F)n(C2CCCC2O)n1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-4-8(13)14-15(7)5-2-1-3-6(5)16/h4-6,16H,1-3H2,(H2,13,14)
InChIKeyUNEVQNLQCZKYBW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.57
Rot. Bonds1

About 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 79872621) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID79872621
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESNc1cc(C(F)(F)F)n(C2CCCC2O)n1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-4-8(13)14-15(7)5-2-1-3-6(5)16/h4-6,16H,1-3H2,(H2,13,14)
InChIKeyUNEVQNLQCZKYBW-UHFFFAOYSA-N
XLogP1.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 79872621) is 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is Nc1cc(C(F)(F)F)n(C2CCCC2O)n1.
What is the InChIKey of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is UNEVQNLQCZKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-4-8(13)14-15(7)5-2-1-3-6(5)16/h4-6,16H,1-3H2,(H2,13,14).
What are the key properties of 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 235.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 79872621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).