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

C14H22F3N3O — CID 79586434

IUPAC[1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H22F3N3O/c1-2-18-13(10-21)7-3-4-11(13)5-8-20-9-6-12(19-20)14(15,16)17/h6,9,11,18,21H,2-5,7-8,10H2,1H3
InChIKeyTZSQLCDJZPUSBC-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.43
Rot. Bonds6

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

[1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol (PubChem CID 79586434) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
PubChem CID79586434
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name[1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H22F3N3O/c1-2-18-13(10-21)7-3-4-11(13)5-8-20-9-6-12(19-20)14(15,16)17/h6,9,11,18,21H,2-5,7-8,10H2,1H3
InChIKeyTZSQLCDJZPUSBC-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol (CID 79586434) is [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol is CCNC1(CO)CCCC1CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
The InChIKey is TZSQLCDJZPUSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-2-18-13(10-21)7-3-4-11(13)5-8-20-9-6-12(19-20)14(15,16)17/h6,9,11,18,21H,2-5,7-8,10H2,1H3.
What are the key properties of [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol?
[1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol has a molecular weight of 305.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79586434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).