N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H16ClFN4O2S — CID 55785532

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1
InChIInChI=1S/C21H16ClFN4O2S/c1-10-15(23)7-12(19(24)28)8-16(10)25-20(29)18-9-13-11(2)26-27(21(13)30-18)17-6-4-3-5-14(17)22/h3-9H,1-2H3,(H2,24,28)(H,25,29)
InChIKeyIMJISWMEEGKMHG-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.85
Rot. Bonds4

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55785532) has the molecular formula C21H16ClFN4O2S and a molecular weight of 442.90 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55785532
Molecular FormulaC21H16ClFN4O2S
Molecular Weight442.90 g/mol
Exact Mass442.07
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1
InChIInChI=1S/C21H16ClFN4O2S/c1-10-15(23)7-12(19(24)28)8-16(10)25-20(29)18-9-13-11(2)26-27(21(13)30-18)17-6-4-3-5-14(17)22/h3-9H,1-2H3,(H2,24,28)(H,25,29)
InChIKeyIMJISWMEEGKMHG-UHFFFAOYSA-N
XLogP4.85
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-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-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2429755
1-(2-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16546983
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55515718
1-(2-chlorophenyl)-3-methyl-N-[2-(methylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119503929
1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55502265
ethyl N-[2-[[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 56557657
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
[2-(3-fluoroanilino)-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 23820817
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16527344
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 23766783
1-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119509052
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119617320

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 55785532) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IMJISWMEEGKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2S/c1-10-15(23)7-12(19(24)28)8-16(10)25-20(29)18-9-13-11(2)26-27(21(13)30-18)17-6-4-3-5-14(17)22/h3-9H,1-2H3,(H2,24,28)(H,25,29).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55785532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).