1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide

C23H24FN5O2S — CID 46687976

IUPAC1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CCCCC2)no1
InChIInChI=1S/C23H24FN5O2S/c1-14-18-12-19(32-21(18)29(27-14)13-16-6-8-17(24)9-7-16)20(30)26-23(10-4-3-5-11-23)22-25-15(2)31-28-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,26,30)
InChIKeyUIFZUEVGQZGSKA-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.87
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 46687976) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID46687976
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CCCCC2)no1
InChIInChI=1S/C23H24FN5O2S/c1-14-18-12-19(32-21(18)29(27-14)13-16-6-8-17(24)9-7-16)20(30)26-23(10-4-3-5-11-23)22-25-15(2)31-28-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,26,30)
InChIKeyUIFZUEVGQZGSKA-UHFFFAOYSA-N
XLogP4.87
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 86974157
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27659162
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78838309
N-(2-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26586135
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55332188
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8712768
1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 120830677
1-[(4-fluorophenyl)methyl]-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55659472
1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
1-[(4-fluorophenyl)methyl]-N-(4-methoxybutyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55724715

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 46687976) is 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nc(C2(NC(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CCCCC2)no1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UIFZUEVGQZGSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-14-18-12-19(32-21(18)29(27-14)13-16-6-8-17(24)9-7-16)20(30)26-23(10-4-3-5-11-23)22-25-15(2)31-28-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,26,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 46687976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).