1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea

C15H20N4OS — CID 75514279

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea
SMILESCCSc1cccc(NC(=O)NCc2cnn(C)c2C)c1
InChIInChI=1S/C15H20N4OS/c1-4-21-14-7-5-6-13(8-14)18-15(20)16-9-12-10-17-19(3)11(12)2/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20)
InChIKeyKBYPVKVTZRNLSQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.16
Rot. Bonds5

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea (PubChem CID 75514279) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea
PubChem CID75514279
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea
SMILESCCSc1cccc(NC(=O)NCc2cnn(C)c2C)c1
InChIInChI=1S/C15H20N4OS/c1-4-21-14-7-5-6-13(8-14)18-15(20)16-9-12-10-17-19(3)11(12)2/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20)
InChIKeyKBYPVKVTZRNLSQ-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)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-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19326759
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-methylphenyl)urea
CID 79524209
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 106044881
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
CID 75514694
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 79529135
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106037408
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
tert-butyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]benzoate
CID 122134451
1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99833219

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea (CID 75514279) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea is CCSc1cccc(NC(=O)NCc2cnn(C)c2C)c1.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea?
The InChIKey is KBYPVKVTZRNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-21-14-7-5-6-13(8-14)18-15(20)16-9-12-10-17-19(3)11(12)2/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea has a molecular weight of 304.42 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-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea is sourced from PubChem (CID 75514279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).