[1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol

C12H18F3N3O — CID 79580984

IUPAC[1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)10-4-7-18(17-10)6-3-9-2-1-5-11(9,16)8-19/h4,7,9,19H,1-3,5-6,8,16H2
InChIKeyOODRUIMNKOKZCA-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.78
Rot. Bonds4

About [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol

[1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol (PubChem CID 79580984) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
PubChem CID79580984
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name[1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)10-4-7-18(17-10)6-3-9-2-1-5-11(9,16)8-19/h4,7,9,19H,1-3,5-6,8,16H2
InChIKeyOODRUIMNKOKZCA-UHFFFAOYSA-N
XLogP1.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol (CID 79580984) is [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol is NC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The InChIKey is OODRUIMNKOKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)10-4-7-18(17-10)6-3-9-2-1-5-11(9,16)8-19/h4,7,9,19H,1-3,5-6,8,16H2.
What are the key properties of [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol has a molecular weight of 277.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79580984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).