N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C24H25FN4OS — CID 53020512

IUPACN-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CCNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)Cc1ccccc1
InChIInChI=1S/C24H25FN4OS/c1-3-28(16-18-7-5-4-6-8-18)14-13-26-23(30)22-15-21-17(2)27-29(24(21)31-22)20-11-9-19(25)10-12-20/h4-12,15H,3,13-14,16H2,1-2H3,(H,26,30)
InChIKeyCGPVFEORKZLUQW-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.79
Rot. Bonds8

About N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 53020512) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID53020512
Molecular FormulaC24H25FN4OS
Molecular Weight436.56 g/mol
Exact Mass436.17
IUPAC NameN-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CCNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)Cc1ccccc1
InChIInChI=1S/C24H25FN4OS/c1-3-28(16-18-7-5-4-6-8-18)14-13-26-23(30)22-15-21-17(2)27-29(24(21)31-22)20-11-9-19(25)10-12-20/h4-12,15H,3,13-14,16H2,1-2H3,(H,26,30)
InChIKeyCGPVFEORKZLUQW-UHFFFAOYSA-N
XLogP4.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27665838
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
1-(4-fluorophenyl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46462449
N-(3-aminobutyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119494763
N-(3-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
N-(3-ethoxypropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24502697
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 53020512) is N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CCNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CGPVFEORKZLUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-3-28(16-18-7-5-4-6-8-18)14-13-26-23(30)22-15-21-17(2)27-29(24(21)31-22)20-11-9-19(25)10-12-20/h4-12,15H,3,13-14,16H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 53020512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).