4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine

C22H25N3O — CID 28697636

IUPAC4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine
SMILESCc1ccc(C)c(-n2cc(CN3CCOCC3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N3O/c1-17-8-9-18(2)21(14-17)25-16-20(15-24-10-12-26-13-11-24)22(23-25)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyHDGMVLKIVCMIIV-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds4

About 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine

4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine (PubChem CID 28697636) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine
PubChem CID28697636
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine
SMILESCc1ccc(C)c(-n2cc(CN3CCOCC3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N3O/c1-17-8-9-18(2)21(14-17)25-16-20(15-24-10-12-26-13-11-24)22(23-25)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyHDGMVLKIVCMIIV-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-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine (CID 28697636) is 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine is Cc1ccc(C)c(-n2cc(CN3CCOCC3)c(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine?
The InChIKey is HDGMVLKIVCMIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-8-9-18(2)21(14-17)25-16-20(15-24-10-12-26-13-11-24)22(23-25)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine?
4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-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-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 28697636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).