3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

C20H23N3O2S — CID 9393456

IUPAC3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H]4CCCO4)sc32)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-5-7-15(8-6-13)12-23-20-17(14(2)22-23)10-18(26-20)19(24)21-11-16-4-3-9-25-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyKETXIUUQEDNWEL-MRXNPFEDSA-N
MW369.49 g/mol
LogP3.67
Rot. Bonds5

About 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 9393456) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID9393456
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H]4CCCO4)sc32)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-5-7-15(8-6-13)12-23-20-17(14(2)22-23)10-18(26-20)19(24)21-11-16-4-3-9-25-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyKETXIUUQEDNWEL-MRXNPFEDSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55659472
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 17430757
N-(2-acetamidoethyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740674
[2-(cyclopropylamino)-2-oxoethyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 7962993
1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 120830677
1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17463930
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
2-oxopropyl 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 7962986
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521214
N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 30245336
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9050180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 9393456) is 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H]4CCCO4)sc32)cc1.
What is the InChIKey of 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KETXIUUQEDNWEL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-5-7-15(8-6-13)12-23-20-17(14(2)22-23)10-18(26-20)19(24)21-11-16-4-3-9-25-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 9393456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).