1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea

C12H13BrN4OS — CID 138054455

IUPAC1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea
SMILESO=C(Nc1cnn(C2CCC2)c1)Nc1cscc1Br
InChIInChI=1S/C12H13BrN4OS/c13-10-6-19-7-11(10)16-12(18)15-8-4-14-17(5-8)9-2-1-3-9/h4-7,9H,1-3H2,(H2,15,16,18)
InChIKeyTYLQNXKHVLJDJS-UHFFFAOYSA-N
MW341.23 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea

1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea (PubChem CID 138054455) has the molecular formula C12H13BrN4OS and a molecular weight of 341.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea
PubChem CID138054455
Molecular FormulaC12H13BrN4OS
Molecular Weight341.23 g/mol
Exact Mass340.00
IUPAC Name1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea
SMILESO=C(Nc1cnn(C2CCC2)c1)Nc1cscc1Br
InChIInChI=1S/C12H13BrN4OS/c13-10-6-19-7-11(10)16-12(18)15-8-4-14-17(5-8)9-2-1-3-9/h4-7,9H,1-3H2,(H2,15,16,18)
InChIKeyTYLQNXKHVLJDJS-UHFFFAOYSA-N
XLogP4.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea 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-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839
1-(1-cyclopentylpyrazol-4-yl)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)urea
CID 138054413
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
N-(1-cyclobutylpyrazol-4-yl)-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 154867542
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide
CID 167907569
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 107520067

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea (CID 138054455) is 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea is O=C(Nc1cnn(C2CCC2)c1)Nc1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea?
The InChIKey is TYLQNXKHVLJDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4OS/c13-10-6-19-7-11(10)16-12(18)15-8-4-14-17(5-8)9-2-1-3-9/h4-7,9H,1-3H2,(H2,15,16,18).
What are the key properties of 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea?
1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea has a molecular weight of 341.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea is sourced from PubChem (CID 138054455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).