2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide

C21H20N4OS — CID 156775016

IUPAC2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide
SMILESCc1ccccc1-c1ccncc1-c1cc2[nH]nc(NC(=O)C(C)C)c2s1
InChIInChI=1S/C21H20N4OS/c1-12(2)21(26)23-20-19-17(24-25-20)10-18(27-19)16-11-22-9-8-15(16)14-7-5-4-6-13(14)3/h4-12H,1-3H3,(H2,23,24,25,26)
InChIKeyNWQXVQLWLFWKNK-UHFFFAOYSA-N
MW376.49 g/mol
LogP5.26
Rot. Bonds4

About 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide

2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide (PubChem CID 156775016) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide
PubChem CID156775016
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide
SMILESCc1ccccc1-c1ccncc1-c1cc2[nH]nc(NC(=O)C(C)C)c2s1
InChIInChI=1S/C21H20N4OS/c1-12(2)21(26)23-20-19-17(24-25-20)10-18(27-19)16-11-22-9-8-15(16)14-7-5-4-6-13(14)3/h4-12H,1-3H3,(H2,23,24,25,26)
InChIKeyNWQXVQLWLFWKNK-UHFFFAOYSA-N
XLogP5.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide (CID 156775016) is 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide is Cc1ccccc1-c1ccncc1-c1cc2[nH]nc(NC(=O)C(C)C)c2s1.
What is the InChIKey of 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
The InChIKey is NWQXVQLWLFWKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-12(2)21(26)23-20-19-17(24-25-20)10-18(27-19)16-11-22-9-8-15(16)14-7-5-4-6-13(14)3/h4-12H,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide has a molecular weight of 376.49 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 156775016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).