(1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C22H21F3N4O2 — CID 71798715

IUPAC(1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H21F3N4O2/c1-28-19(13-18(27-28)15-5-3-2-4-6-15)21(30)29-11-9-17(10-12-29)31-20-8-7-16(14-26-20)22(23,24)25/h2-8,13-14,17H,9-12H2,1H3
InChIKeyYMBAQVPRUCKGGH-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.18
Rot. Bonds4

About (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

(1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798715) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798715
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name(1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H21F3N4O2/c1-28-19(13-18(27-28)15-5-3-2-4-6-15)21(30)29-11-9-17(10-12-29)31-20-8-7-16(14-26-20)22(23,24)25/h2-8,13-14,17H,9-12H2,1H3
InChIKeyYMBAQVPRUCKGGH-UHFFFAOYSA-N
XLogP4.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798715) is (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is YMBAQVPRUCKGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-28-19(13-18(27-28)15-5-3-2-4-6-15)21(30)29-11-9-17(10-12-29)31-20-8-7-16(14-26-20)22(23,24)25/h2-8,13-14,17H,9-12H2,1H3.
What are the key properties of (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 430.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpyrazol-5-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).