1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C23H19FN6O2S — CID 55646121

IUPAC1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)n[nH]1
InChIInChI=1S/C23H19FN6O2S/c1-13-17-11-19(33-22(17)30(29-13)12-14-7-9-15(24)10-8-14)21(31)26-23-25-20(27-28-23)16-5-3-4-6-18(16)32-2/h3-11H,12H2,1-2H3,(H2,25,26,27,28,31)
InChIKeyCFEHTPUNEPJPNS-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.64
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55646121) has the molecular formula C23H19FN6O2S and a molecular weight of 462.51 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55646121
Molecular FormulaC23H19FN6O2S
Molecular Weight462.51 g/mol
Exact Mass462.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)n[nH]1
InChIInChI=1S/C23H19FN6O2S/c1-13-17-11-19(33-22(17)30(29-13)12-14-7-9-15(24)10-8-14)21(31)26-23-25-20(27-28-23)16-5-3-4-6-18(16)32-2/h3-11H,12H2,1-2H3,(H2,25,26,27,28,31)
InChIKeyCFEHTPUNEPJPNS-UHFFFAOYSA-N
XLogP4.64
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26833140
1-benzyl-N-(2-methoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2430094
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78838309
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27659162
1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
N-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26586135
N-(3-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7958946
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8712768
1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9098488
1-[(4-fluorophenyl)methyl]-N-(4-methoxybutyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55724715
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 55646121) is 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccccc1-c1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)n[nH]1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CFEHTPUNEPJPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2S/c1-13-17-11-19(33-22(17)30(29-13)12-14-7-9-15(24)10-8-14)21(31)26-23-25-20(27-28-23)16-5-3-4-6-18(16)32-2/h3-11H,12H2,1-2H3,(H2,25,26,27,28,31).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55646121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).