[1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C16H20F3N3O — CID 139021654

IUPAC[1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(c1cnn(CC2CCCC2)c1)N1CC2CC2(C(F)(F)F)C1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)15-5-13(15)9-21(10-15)14(23)12-6-20-22(8-12)7-11-3-1-2-4-11/h6,8,11,13H,1-5,7,9-10H2
InChIKeyRLXUHJQWOVRJAW-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.10
Rot. Bonds3

About [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

[1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 139021654) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name[1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID139021654
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name[1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(c1cnn(CC2CCCC2)c1)N1CC2CC2(C(F)(F)F)C1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)15-5-13(15)9-21(10-15)14(23)12-6-20-22(8-12)7-11-3-1-2-4-11/h6,8,11,13H,1-5,7,9-10H2
InChIKeyRLXUHJQWOVRJAW-UHFFFAOYSA-N
XLogP3.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 139021654) is [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is O=C(c1cnn(CC2CCCC2)c1)N1CC2CC2(C(F)(F)F)C1.
What is the InChIKey of [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is RLXUHJQWOVRJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c17-16(18,19)15-5-13(15)9-21(10-15)14(23)12-6-20-22(8-12)7-11-3-1-2-4-11/h6,8,11,13H,1-5,7,9-10H2.
What are the key properties of [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
[1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 327.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylmethyl)pyrazol-4-yl]-[1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 139021654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).