4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide

C14H15BrN4O2S — CID 2056596

IUPAC4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C14H15BrN4O2S/c1-2-19-11(8(15)6-17-19)13(21)18-14-10(12(16)20)7-4-3-5-9(7)22-14/h6H,2-5H2,1H3,(H2,16,20)(H,18,21)
InChIKeySNTVXAWGEXKZDV-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.57
Rot. Bonds4

About 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide

4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide (PubChem CID 2056596) has the molecular formula C14H15BrN4O2S and a molecular weight of 383.27 g/mol. Its IUPAC name is 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide
PubChem CID2056596
Molecular FormulaC14H15BrN4O2S
Molecular Weight383.27 g/mol
Exact Mass382.01
IUPAC Name4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C14H15BrN4O2S/c1-2-19-11(8(15)6-17-19)13(21)18-14-10(12(16)20)7-4-3-5-9(7)22-14/h6H,2-5H2,1H3,(H2,16,20)(H,18,21)
InChIKeySNTVXAWGEXKZDV-UHFFFAOYSA-N
XLogP2.57
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[({3-Tert-Butyl-4-[(Methylamino)methyl]-1h-Pyrazol-1-Yl}acetyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
CID 46870038
N-[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]-4-bromo-1-methyl-1H-pyrazole-3-carboxamide
CID 1028457
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1311001
4-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylpyrazole-3-carboxamide
CID 1314887
2-[2-(3-Tert-butyl-4-dimethylaminomethylpyrazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxamide
CID 24967422
2-(2-(3-tert-butyl-4-((ethylamino)methyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 52943768
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid (3-carbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide
CID 1137537
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide
CID 1222859
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-chloro-2-methyl-3-pyrazolecarboxamide
CID 841657
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-pyrazolecarboxamide
CID 3521424
4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1839774
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 4768943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide (CID 2056596) is 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is SNTVXAWGEXKZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2S/c1-2-19-11(8(15)6-17-19)13(21)18-14-10(12(16)20)7-4-3-5-9(7)22-14/h6H,2-5H2,1H3,(H2,16,20)(H,18,21).
What are the key properties of 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide?
4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 383.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 2056596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).