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

C13H20F3N3O — CID 79581060

IUPAC[1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-17-12(9-20)6-2-3-10(12)4-7-19-8-5-11(18-19)13(14,15)16/h5,8,10,17,20H,2-4,6-7,9H2,1H3
InChIKeyMLWBYMXRYYUIQV-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.04
Rot. Bonds5

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

[1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol (PubChem CID 79581060) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
PubChem CID79581060
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name[1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-17-12(9-20)6-2-3-10(12)4-7-19-8-5-11(18-19)13(14,15)16/h5,8,10,17,20H,2-4,6-7,9H2,1H3
InChIKeyMLWBYMXRYYUIQV-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol (CID 79581060) is [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol is CNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The InChIKey is MLWBYMXRYYUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-17-12(9-20)6-2-3-10(12)4-7-19-8-5-11(18-19)13(14,15)16/h5,8,10,17,20H,2-4,6-7,9H2,1H3.
What are the key properties of [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
[1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol has a molecular weight of 291.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).