3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

C24H32N4O2S — CID 25470437

IUPAC3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H](C(C)C)N4CCOCC4)sc32)cc1
InChIInChI=1S/C24H32N4O2S/c1-16(2)21(27-9-11-30-12-10-27)14-25-23(29)22-13-20-18(4)26-28(24(20)31-22)15-19-7-5-17(3)6-8-19/h5-8,13,16,21H,9-12,14-15H2,1-4H3,(H,25,29)/t21-/m1/s1
InChIKeyFPZGGJVSZJJZFL-OAQYLSRUSA-N
MW440.61 g/mol
LogP3.85
Rot. Bonds7

About 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 25470437) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID25470437
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H](C(C)C)N4CCOCC4)sc32)cc1
InChIInChI=1S/C24H32N4O2S/c1-16(2)21(27-9-11-30-12-10-27)14-25-23(29)22-13-20-18(4)26-28(24(20)31-22)15-19-7-5-17(3)6-8-19/h5-8,13,16,21H,9-12,14-15H2,1-4H3,(H,25,29)/t21-/m1/s1
InChIKeyFPZGGJVSZJJZFL-OAQYLSRUSA-N
XLogP3.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 43050281
3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 9393456
1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17463930
1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120831470
1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 120830677
N-(3-methoxypropyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 24502555
N-(3-amino-2-methylpropyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119997670
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-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 24517146
1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797
1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 124628906
1-[(4-fluorophenyl)methyl]-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55659472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 25470437) is 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H](C(C)C)N4CCOCC4)sc32)cc1.
What is the InChIKey of 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FPZGGJVSZJJZFL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-16(2)21(27-9-11-30-12-10-27)14-25-23(29)22-13-20-18(4)26-28(24(20)31-22)15-19-7-5-17(3)6-8-19/h5-8,13,16,21H,9-12,14-15H2,1-4H3,(H,25,29)/t21-/m1/s1.
What are the key properties of 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 25470437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).