1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine

C25H30FN3O2 — CID 42513610

IUPAC1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C25H30FN3O2/c1-18-6-4-5-7-23(18)29-16-21(15-28-12-10-19(11-13-28)17-30-2)25(27-29)20-8-9-24(31-3)22(26)14-20/h4-9,14,16,19H,10-13,15,17H2,1-3H3
InChIKeyCFIKZDPFEYWFPG-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.85
Rot. Bonds7

About 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine

1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine (PubChem CID 42513610) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
PubChem CID42513610
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C25H30FN3O2/c1-18-6-4-5-7-23(18)29-16-21(15-28-12-10-19(11-13-28)17-30-2)25(27-29)20-8-9-24(31-3)22(26)14-20/h4-9,14,16,19H,10-13,15,17H2,1-3H3
InChIKeyCFIKZDPFEYWFPG-UHFFFAOYSA-N
XLogP4.85
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?
The IUPAC name of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine (CID 42513610) is 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine is COCC1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?
The InChIKey is CFIKZDPFEYWFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18-6-4-5-7-23(18)29-16-21(15-28-12-10-19(11-13-28)17-30-2)25(27-29)20-8-9-24(31-3)22(26)14-20/h4-9,14,16,19H,10-13,15,17H2,1-3H3.
What are the key properties of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine has a molecular weight of 423.53 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine is sourced from PubChem (CID 42513610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).