1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea

C9H9BrN4OS — CID 47253712

IUPAC1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCc1csc(Br)c1)Nc1cn[nH]c1
InChIInChI=1S/C9H9BrN4OS/c10-8-1-6(5-16-8)2-11-9(15)14-7-3-12-13-4-7/h1,3-5H,2H2,(H,12,13)(H2,11,14,15)
InChIKeyYCSVZNDJSTZBOS-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.56
Rot. Bonds3

About 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea

1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 47253712) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID47253712
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCc1csc(Br)c1)Nc1cn[nH]c1
InChIInChI=1S/C9H9BrN4OS/c10-8-1-6(5-16-8)2-11-9(15)14-7-3-12-13-4-7/h1,3-5H,2H2,(H,12,13)(H2,11,14,15)
InChIKeyYCSVZNDJSTZBOS-UHFFFAOYSA-N
XLogP2.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-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-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47248167
1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47248492
2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
CID 130682682
1-[(5-bromothiophen-3-yl)methyl]-3-(1,3-thiazole-2-carbonylamino)urea
CID 167941357
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62877454
6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
CID 61209750

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea (CID 47253712) is 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea is O=C(NCc1csc(Br)c1)Nc1cn[nH]c1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is YCSVZNDJSTZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c10-8-1-6(5-16-8)2-11-9(15)14-7-3-12-13-4-7/h1,3-5H,2H2,(H,12,13)(H2,11,14,15).
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea?
1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 301.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 47253712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).