1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone

C17H19N3O2S2 — CID 2963429

IUPAC1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C17H19N3O2S2/c21-17(12-19-5-7-22-8-6-19)20-14(16-4-2-10-24-16)11-13(18-20)15-3-1-9-23-15/h1-4,9-10,14H,5-8,11-12H2
InChIKeyPAZYWEMNYKGAEZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.82
Rot. Bonds4

About 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone

1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone (PubChem CID 2963429) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone
PubChem CID2963429
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1N=C(c2cccs2)CC1c1cccs1
InChIInChI=1S/C17H19N3O2S2/c21-17(12-19-5-7-22-8-6-19)20-14(16-4-2-10-24-16)11-13(18-20)15-3-1-9-23-15/h1-4,9-10,14H,5-8,11-12H2
InChIKeyPAZYWEMNYKGAEZ-UHFFFAOYSA-N
XLogP2.82
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone (CID 2963429) is 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1N=C(c2cccs2)CC1c1cccs1.
What is the InChIKey of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone?
The InChIKey is PAZYWEMNYKGAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c21-17(12-19-5-7-22-8-6-19)20-14(16-4-2-10-24-16)11-13(18-20)15-3-1-9-23-15/h1-4,9-10,14H,5-8,11-12H2.
What are the key properties of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone?
1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone has a molecular weight of 361.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 2963429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).