3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H22N4O2S — CID 3242544

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCOCC3)cc12
InChIInChI=1S/C19H22N4O2S/c1-14-16-13-17(18(24)20-7-8-22-9-11-25-12-10-22)26-19(16)23(21-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,20,24)
InChIKeyAITKNUAVRFKATC-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.46
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3242544) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3242544
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCOCC3)cc12
InChIInChI=1S/C19H22N4O2S/c1-14-16-13-17(18(24)20-7-8-22-9-11-25-12-10-22)26-19(16)23(21-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,20,24)
InChIKeyAITKNUAVRFKATC-UHFFFAOYSA-N
XLogP2.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 3242544) is 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCOCC3)cc12.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AITKNUAVRFKATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-16-13-17(18(24)20-7-8-22-9-11-25-12-10-22)26-19(16)23(21-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,20,24).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3242544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).