3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C16H16FN3O2S — CID 3242757

IUPAC3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C16H16FN3O2S/c1-20-16-11(9-13(23-16)15(21)18-7-8-22-2)14(19-20)10-5-3-4-6-12(10)17/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyZOJPIICMQQPHGR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.82
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3242757) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3242757
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C16H16FN3O2S/c1-20-16-11(9-13(23-16)15(21)18-7-8-22-2)14(19-20)10-5-3-4-6-12(10)17/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyZOJPIICMQQPHGR-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl](morpholino)methanone
CID 1471458
CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
3-Methyl-5-(4-morpholinylcarbonyl)-1-phenyl-1H-thieno[2,3-c]pyrazole
CID 617776
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide
CID 5308230
N-{2-[butyl(ethyl)amino]ethyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16007418
N-cyclohexyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44406074
1-cyclohexyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 44610732
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231930
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231932

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 3242757) is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is COCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZOJPIICMQQPHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-20-16-11(9-13(23-16)15(21)18-7-8-22-2)14(19-20)10-5-3-4-6-12(10)17/h3-6,9H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3242757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).