N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H22FN3O3S2 — CID 55429596

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C3CC3)C3CCS(=O)(=O)C3)cc12
InChIInChI=1S/C21H22FN3O3S2/c1-13-18-10-19(20(26)25(16-6-7-16)17-8-9-30(27,28)12-17)29-21(18)24(23-13)11-14-2-4-15(22)5-3-14/h2-5,10,16-17H,6-9,11-12H2,1H3
InChIKeyDOBVXJVAZBJTPD-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.39
Rot. Bonds5

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

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55429596) has the molecular formula C21H22FN3O3S2 and a molecular weight of 447.56 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55429596
Molecular FormulaC21H22FN3O3S2
Molecular Weight447.56 g/mol
Exact Mass447.11
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C3CC3)C3CCS(=O)(=O)C3)cc12
InChIInChI=1S/C21H22FN3O3S2/c1-13-18-10-19(20(26)25(16-6-7-16)17-8-9-30(27,28)12-17)29-21(18)24(23-13)11-14-2-4-15(22)5-3-14/h2-5,10,16-17H,6-9,11-12H2,1H3
InChIKeyDOBVXJVAZBJTPD-UHFFFAOYSA-N
XLogP3.39
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-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-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
N-butyl-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 75854569
1-[(4-fluorophenyl)methyl]-N,3-dimethyl-N-(4-methylpentan-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 46580894
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
1-[(4-fluorophenyl)methyl]-3-methyl-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55659472
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27659162
1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119551871
N-(3-amino-3-oxopropyl)-1-benzyl-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17483240
(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17458444
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-(1,3-benzothiazol-2-ylmethyl)-1-[(4-fluorophenyl)methyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 41439809

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 55429596) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C3CC3)C3CCS(=O)(=O)C3)cc12.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DOBVXJVAZBJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S2/c1-13-18-10-19(20(26)25(16-6-7-16)17-8-9-30(27,28)12-17)29-21(18)24(23-13)11-14-2-4-15(22)5-3-14/h2-5,10,16-17H,6-9,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55429596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).