[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone

C20H21N3O2S — CID 136536345

IUPAC[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
SMILESCc1ccccc1C1CN(C(=O)c2ccc(-c3ccn[nH]3)s2)C(C)CO1
InChIInChI=1S/C20H21N3O2S/c1-13-5-3-4-6-15(13)17-11-23(14(2)12-25-17)20(24)19-8-7-18(26-19)16-9-10-21-22-16/h3-10,14,17H,11-12H2,1-2H3,(H,21,22)
InChIKeyGJIOVGOCBKRZBH-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.05
Rot. Bonds3

About [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone

[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone (PubChem CID 136536345) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
PubChem CID136536345
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
SMILESCc1ccccc1C1CN(C(=O)c2ccc(-c3ccn[nH]3)s2)C(C)CO1
InChIInChI=1S/C20H21N3O2S/c1-13-5-3-4-6-15(13)17-11-23(14(2)12-25-17)20(24)19-8-7-18(26-19)16-9-10-21-22-16/h3-10,14,17H,11-12H2,1-2H3,(H,21,22)
InChIKeyGJIOVGOCBKRZBH-UHFFFAOYSA-N
XLogP4.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The IUPAC name of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone (CID 136536345) is [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone.
What is the SMILES notation for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The canonical SMILES for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone is Cc1ccccc1C1CN(C(=O)c2ccc(-c3ccn[nH]3)s2)C(C)CO1.
What is the InChIKey of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The InChIKey is GJIOVGOCBKRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-5-3-4-6-15(13)17-11-23(14(2)12-25-17)20(24)19-8-7-18(26-19)16-9-10-21-22-16/h3-10,14,17H,11-12H2,1-2H3,(H,21,22).
What are the key properties of [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone has a molecular weight of 367.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 136536345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).