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

C23H21FN4O2S — CID 17483240

IUPACN-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc12
InChIInChI=1S/C23H21FN4O2S/c1-15-19-13-20(31-23(19)28(26-15)14-16-5-3-2-4-6-16)22(30)27(12-11-21(25)29)18-9-7-17(24)8-10-18/h2-10,13H,11-12,14H2,1H3,(H2,25,29)
InChIKeySIVNAXKQUMFYTK-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.12
Rot. Bonds7

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

N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 17483240) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID17483240
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC NameN-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc12
InChIInChI=1S/C23H21FN4O2S/c1-15-19-13-20(31-23(19)28(26-15)14-16-5-3-2-4-6-16)22(30)27(12-11-21(25)29)18-9-7-17(24)8-10-18/h2-10,13H,11-12,14H2,1H3,(H2,25,29)
InChIKeySIVNAXKQUMFYTK-UHFFFAOYSA-N
XLogP4.12
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
1-[(4-fluorophenyl)methyl]-N,3-dimethyl-N-(4-methylpentan-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 46580894
N-(1,3-benzothiazol-2-ylmethyl)-1-[(4-fluorophenyl)methyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 41439809
1-benzyl-N-[2-(dimethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 18778103
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 24526931
1-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2458708
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55429596
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 17483240) is N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SIVNAXKQUMFYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-15-19-13-20(31-23(19)28(26-15)14-16-5-3-2-4-6-16)22(30)27(12-11-21(25)29)18-9-7-17(24)8-10-18/h2-10,13H,11-12,14H2,1H3,(H2,25,29).
What are the key properties of N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 17483240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).