[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone

C18H19N3O2S — CID 663836

IUPAC[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-4-6-15(12)21-18-14(13(2)19-21)11-16(24-18)17(22)20-7-9-23-10-8-20/h3-6,11H,7-10H2,1-2H3
InChIKeyGLIJECMQIQKGBS-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.18
Rot. Bonds2

About [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone

[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 663836) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID663836
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-4-6-15(12)21-18-14(13(2)19-21)11-16(24-18)17(22)20-7-9-23-10-8-20/h3-6,11H,7-10H2,1-2H3
InChIKeyGLIJECMQIQKGBS-UHFFFAOYSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl](morpholino)methanone
CID 1471458
N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
CB2 Inhibitor, 2
CID 16376054
3-Methyl-5-(4-morpholinylcarbonyl)-1-phenyl-1H-thieno[2,3-c]pyrazole
CID 617776
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
(3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-methanone
CID 1076000
N-(4-acetylphenyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 1452121
(8-methyl-8H-thieno[2,3-b]indol-2-yl)(morpholino)methanone
CID 2766139
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone (CID 663836) is [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone is Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCOCC3)sc21.
What is the InChIKey of [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GLIJECMQIQKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-5-3-4-6-15(12)21-18-14(13(2)19-21)11-16(24-18)17(22)20-7-9-23-10-8-20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 341.44 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 663836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).