1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine

C25H30FN3O — CID 155515396

IUPAC1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C25H30FN3O/c1-18(2)19-6-8-20(9-7-19)25-15-22(16-28-14-4-5-24(17-28)30-3)27-29(25)23-12-10-21(26)11-13-23/h6-13,15,18,24H,4-5,14,16-17H2,1-3H3
InChIKeyJUDQOXAYUIHRDN-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.41
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine

1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine (PubChem CID 155515396) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine
PubChem CID155515396
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C25H30FN3O/c1-18(2)19-6-8-20(9-7-19)25-15-22(16-28-14-4-5-24(17-28)30-3)27-29(25)23-12-10-21(26)11-13-23/h6-13,15,18,24H,4-5,14,16-17H2,1-3H3
InChIKeyJUDQOXAYUIHRDN-UHFFFAOYSA-N
XLogP5.41
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US12391696, Example 1
CID 155591380
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
4-[[1-(4-Fluorophenyl)-5-(4-isopropylphenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine
CID 73953235
4-[[1-[(4-Fluorophenyl)methyl]-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145983205
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-(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-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155552587
1-[[1-(4-Fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155557396

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine (CID 155515396) is 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine is COC1CCCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine?
The InChIKey is JUDQOXAYUIHRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-18(2)19-6-8-20(9-7-19)25-15-22(16-28-14-4-5-24(17-28)30-3)27-29(25)23-12-10-21(26)11-13-23/h6-13,15,18,24H,4-5,14,16-17H2,1-3H3.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine?
1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine has a molecular weight of 407.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-3-methoxypiperidine is sourced from PubChem (CID 155515396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).