1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea

C15H20N4S — CID 19584926

IUPAC1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea
SMILESCc1cc(CNC(=S)NCCc2ccccc2)nn1C
InChIInChI=1S/C15H20N4S/c1-12-10-14(18-19(12)2)11-17-15(20)16-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H2,16,17,20)
InChIKeyMOVZEXNDIMUKKK-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.94
Rot. Bonds5

About 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea

1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea (PubChem CID 19584926) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea
PubChem CID19584926
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea
SMILESCc1cc(CNC(=S)NCCc2ccccc2)nn1C
InChIInChI=1S/C15H20N4S/c1-12-10-14(18-19(12)2)11-17-15(20)16-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H2,16,17,20)
InChIKeyMOVZEXNDIMUKKK-UHFFFAOYSA-N
XLogP1.94
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 17380994
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
1-(1-benzylpyrazol-4-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19333434
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(3-ethoxypropyl)thiourea
CID 19333396
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)thiourea
CID 17282045
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19333435
1-(1-benzyl-5-methylpyrazol-3-yl)-3-(2-phenylethyl)thiourea
CID 19403651
3-benzyl-1,5-dimethylpyrazole
CID 13225476
1-(2-phenylethyl)-3-(pyridin-4-ylmethyl)thiourea
CID 4968462
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19333408
1-[(5-fluoro-2-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 3748869
1-(4-bromo-2-chlorophenyl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 2206236

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea (CID 19584926) is 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea is Cc1cc(CNC(=S)NCCc2ccccc2)nn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea?
The InChIKey is MOVZEXNDIMUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12-10-14(18-19(12)2)11-17-15(20)16-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea?
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea has a molecular weight of 288.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 19584926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).