[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

C22H23N3O2 — CID 1288955

IUPAC[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C22H23N3O2/c1-16-8-9-18(14-17(16)2)21-20(22(26)24-10-12-27-13-11-24)15-25(23-21)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyNTCYCBGYXHAPMR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.63
Rot. Bonds3

About [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 1288955) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID1288955
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C22H23N3O2/c1-16-8-9-18(14-17(16)2)21-20(22(26)24-10-12-27-13-11-24)15-25(23-21)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyNTCYCBGYXHAPMR-UHFFFAOYSA-N
XLogP3.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 1288955) is [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1C.
What is the InChIKey of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is NTCYCBGYXHAPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-8-9-18(14-17(16)2)21-20(22(26)24-10-12-27-13-11-24)15-25(23-21)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1288955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).