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

C21H19N3O3S — CID 71897013

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1O
InChIInChI=1S/C21H19N3O3S/c1-13-16-11-19(28-21(16)24(23-13)15-6-4-3-5-7-15)20(26)22-12-14-8-9-17(25)18(10-14)27-2/h3-11,25H,12H2,1-2H3,(H,22,26)
InChIKeyJQASXDZYLJDFDY-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.04
Rot. Bonds5

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

N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 71897013) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID71897013
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1O
InChIInChI=1S/C21H19N3O3S/c1-13-16-11-19(28-21(16)24(23-13)15-6-4-3-5-7-15)20(26)22-12-14-8-9-17(25)18(10-14)27-2/h3-11,25H,12H2,1-2H3,(H,22,26)
InChIKeyJQASXDZYLJDFDY-UHFFFAOYSA-N
XLogP4.04
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 71897013) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is COc1cc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JQASXDZYLJDFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-16-11-19(28-21(16)24(23-13)15-6-4-3-5-7-15)20(26)22-12-14-8-9-17(25)18(10-14)27-2/h3-11,25H,12H2,1-2H3,(H,22,26).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 71897013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).