4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine

C22H25N3O — CID 29085984

IUPAC4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine
SMILESCc1ccc(-n2cc(CN3CCOCC3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H25N3O/c1-17-6-8-21(9-7-17)25-16-20(15-24-10-12-26-13-11-24)22(23-25)19-5-3-4-18(2)14-19/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyPBHSTJBJLJKGKM-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds4

About 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine

4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 29085984) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine
PubChem CID29085984
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine
SMILESCc1ccc(-n2cc(CN3CCOCC3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H25N3O/c1-17-6-8-21(9-7-17)25-16-20(15-24-10-12-26-13-11-24)22(23-25)19-5-3-4-18(2)14-19/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyPBHSTJBJLJKGKM-UHFFFAOYSA-N
XLogP3.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine (CID 29085984) is 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine is Cc1ccc(-n2cc(CN3CCOCC3)c(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is PBHSTJBJLJKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-6-8-21(9-7-17)25-16-20(15-24-10-12-26-13-11-24)22(23-25)19-5-3-4-18(2)14-19/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine?
4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 347.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 29085984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).