1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea

C14H17BrN4OS — CID 19327172

IUPAC1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea
SMILESCCn1ncc(Br)c1CNC(=S)Nc1ccccc1OC
InChIInChI=1S/C14H17BrN4OS/c1-3-19-12(10(15)8-17-19)9-16-14(21)18-11-6-4-5-7-13(11)20-2/h4-8H,3,9H2,1-2H3,(H2,16,18,21)
InChIKeyFMWCIKUPRPMZCU-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.16
Rot. Bonds5

About 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea

1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea (PubChem CID 19327172) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea
PubChem CID19327172
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea
SMILESCCn1ncc(Br)c1CNC(=S)Nc1ccccc1OC
InChIInChI=1S/C14H17BrN4OS/c1-3-19-12(10(15)8-17-19)9-16-14(21)18-11-6-4-5-7-13(11)20-2/h4-8H,3,9H2,1-2H3,(H2,16,18,21)
InChIKeyFMWCIKUPRPMZCU-UHFFFAOYSA-N
XLogP3.16
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea 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-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19327201
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)thiourea
CID 19324823
3-benzyl-1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-methylthiourea
CID 19464930
1-(2,4-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325125
1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 797368
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea
CID 19571887
1-(2-methoxyphenyl)-3-[1-[(2-methoxyphenyl)carbamothioylamino]pentan-3-yl]thiourea
CID 4536659
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 19323161
1-benzyl-3-[4-(2-methoxyanilino)phenyl]thiourea
CID 2487896
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(2-ethoxyphenyl)-1-methylthiourea
CID 19464884

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea (CID 19327172) is 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea is CCn1ncc(Br)c1CNC(=S)Nc1ccccc1OC.
What is the InChIKey of 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea?
The InChIKey is FMWCIKUPRPMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-3-19-12(10(15)8-17-19)9-16-14(21)18-11-6-4-5-7-13(11)20-2/h4-8H,3,9H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea?
1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea has a molecular weight of 369.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 19327172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).