[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C22H21F3N4O3 — CID 71798766

IUPAC[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)[nH]n1
InChIInChI=1S/C22H21F3N4O3/c1-31-19-5-3-2-4-16(19)17-12-18(28-27-17)21(30)29-10-8-15(9-11-29)32-20-7-6-14(13-26-20)22(23,24)25/h2-7,12-13,15H,8-11H2,1H3,(H,27,28)
InChIKeyQALIPJZPSVWKEK-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.18
Rot. Bonds5

About [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798766) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798766
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)[nH]n1
InChIInChI=1S/C22H21F3N4O3/c1-31-19-5-3-2-4-16(19)17-12-18(28-27-17)21(30)29-10-8-15(9-11-29)32-20-7-6-14(13-26-20)22(23,24)25/h2-7,12-13,15H,8-11H2,1H3,(H,27,28)
InChIKeyQALIPJZPSVWKEK-UHFFFAOYSA-N
XLogP4.18
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798766) is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is COc1ccccc1-c1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)[nH]n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is QALIPJZPSVWKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c1-31-19-5-3-2-4-16(19)17-12-18(28-27-17)21(30)29-10-8-15(9-11-29)32-20-7-6-14(13-26-20)22(23,24)25/h2-7,12-13,15H,8-11H2,1H3,(H,27,28).
What are the key properties of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 446.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).