1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide

C12H11BrN4O2S — CID 126901123

IUPAC1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(C(=O)c3cc(Br)cs3)C2)c1
InChIInChI=1S/C12H11BrN4O2S/c13-8-1-10(20-6-8)12(19)16-4-9(5-16)17-3-7(2-15-17)11(14)18/h1-3,6,9H,4-5H2,(H2,14,18)
InChIKeyRCFYILWQYHKCMA-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.50
Rot. Bonds3

About 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide

1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126901123) has the molecular formula C12H11BrN4O2S and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126901123
Molecular FormulaC12H11BrN4O2S
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(C(=O)c3cc(Br)cs3)C2)c1
InChIInChI=1S/C12H11BrN4O2S/c13-8-1-10(20-6-8)12(19)16-4-9(5-16)17-3-7(2-15-17)11(14)18/h1-3,6,9H,4-5H2,(H2,14,18)
InChIKeyRCFYILWQYHKCMA-UHFFFAOYSA-N
XLogP1.50
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide (CID 126901123) is 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CN(C(=O)c3cc(Br)cs3)C2)c1.
What is the InChIKey of 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is RCFYILWQYHKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2S/c13-8-1-10(20-6-8)12(19)16-4-9(5-16)17-3-7(2-15-17)11(14)18/h1-3,6,9H,4-5H2,(H2,14,18).
What are the key properties of 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126901123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).