N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C16H15BrClN3O2S — CID 30208665

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C16H15BrClN3O2S/c1-4-23-14-11(17)5-9(18)6-12(14)19-15(22)13-7-10-8(2)20-21(3)16(10)24-13/h5-7H,4H2,1-3H3,(H,19,22)
InChIKeyDPUMNVZQBBLTCC-UHFFFAOYSA-N
MW428.74 g/mol
LogP5.01
Rot. Bonds4

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 30208665) has the molecular formula C16H15BrClN3O2S and a molecular weight of 428.74 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID30208665
Molecular FormulaC16H15BrClN3O2S
Molecular Weight428.74 g/mol
Exact Mass426.98
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C16H15BrClN3O2S/c1-4-23-14-11(17)5-9(18)6-12(14)19-15(22)13-7-10-8(2)20-21(3)16(10)24-13/h5-7H,4H2,1-3H3,(H,19,22)
InChIKeyDPUMNVZQBBLTCC-UHFFFAOYSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304612
N-(2-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60597423
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(4-bromo-2-fluorophenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26014198
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-[2-(ethylaminomethyl)phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119439894
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26069836
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 30208665) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DPUMNVZQBBLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O2S/c1-4-23-14-11(17)5-9(18)6-12(14)19-15(22)13-7-10-8(2)20-21(3)16(10)24-13/h5-7H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 428.74 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 30208665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).