4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine

C20H26F3N3O — CID 155512445

IUPAC4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C(C)C)n2)CC1
InChIInChI=1S/C20H26F3N3O/c1-14(2)26-19(15-4-6-16(7-5-15)20(21,22)23)12-17(24-26)13-25-10-8-18(27-3)9-11-25/h4-7,12,14,18H,8-11,13H2,1-3H3
InChIKeyPWBLCNOOTBHFQE-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.76
Rot. Bonds5

About 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine

4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine (PubChem CID 155512445) has the molecular formula C20H26F3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
PubChem CID155512445
Molecular FormulaC20H26F3N3O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC Name4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C(C)C)n2)CC1
InChIInChI=1S/C20H26F3N3O/c1-14(2)26-19(15-4-6-16(7-5-15)20(21,22)23)12-17(24-26)13-25-10-8-18(27-3)9-11-25/h4-7,12,14,18H,8-11,13H2,1-3H3
InChIKeyPWBLCNOOTBHFQE-UHFFFAOYSA-N
XLogP4.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(2-methyl-5-phenylpyrazol-3-yl)methyl]piperazine-1-carboxylate
CID 89682653
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 89682719
1-Benzyl-4-(3-methyl-5-phenyl-pyrazol-1-yl)-piperidine
CID 44459452
Tert-butyl 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155521275
1-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155526986
1-[[1-Propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
CID 155534366
1-[[1-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155536978
4-[[1-Cyclobutyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155538169
1-[[1-Cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155540068
1-[[1-(4-Fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155542932
4-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155545737
1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(4-fluorobenzyl)piperidine
CID 28373543

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine (CID 155512445) is 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine is COC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C(C)C)n2)CC1.
What is the InChIKey of 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The InChIKey is PWBLCNOOTBHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O/c1-14(2)26-19(15-4-6-16(7-5-15)20(21,22)23)12-17(24-26)13-25-10-8-18(27-3)9-11-25/h4-7,12,14,18H,8-11,13H2,1-3H3.
What are the key properties of 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine has a molecular weight of 381.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[[1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 155512445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).