1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C24H23ClN4O2S — CID 2550146

IUPAC1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C24H23ClN4O2S/c1-16-18-14-22(32-24(18)29(27-16)15-17-6-2-3-7-19(17)25)23(30)26-20-8-4-5-9-21(20)28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,26,30)
InChIKeyNUDARURLTPSQBC-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.20
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2550146) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2550146
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C24H23ClN4O2S/c1-16-18-14-22(32-24(18)29(27-16)15-17-6-2-3-7-19(17)25)23(30)26-20-8-4-5-9-21(20)28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,26,30)
InChIKeyNUDARURLTPSQBC-UHFFFAOYSA-N
XLogP5.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2550146) is 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NUDARURLTPSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-16-18-14-22(32-24(18)29(27-16)15-17-6-2-3-7-19(17)25)23(30)26-20-8-4-5-9-21(20)28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,26,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 466.99 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2550146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).