1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea

C15H20N4S — CID 19452316

IUPAC1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea
SMILESCCn1ccc(CN(C)C(=S)Nc2ccccc2C)n1
InChIInChI=1S/C15H20N4S/c1-4-19-10-9-13(17-19)11-18(3)15(20)16-14-8-6-5-7-12(14)2/h5-10H,4,11H2,1-3H3,(H,16,20)
InChIKeyRPCIIJHCYDTXSD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.04
Rot. Bonds4

About 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea

1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea (PubChem CID 19452316) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea
PubChem CID19452316
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea
SMILESCCn1ccc(CN(C)C(=S)Nc2ccccc2C)n1
InChIInChI=1S/C15H20N4S/c1-4-19-10-9-13(17-19)11-18(3)15(20)16-14-8-6-5-7-12(14)2/h5-10H,4,11H2,1-3H3,(H,16,20)
InChIKeyRPCIIJHCYDTXSD-UHFFFAOYSA-N
XLogP3.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-naphthalen-1-ylthiourea
CID 19452294
3-(2,4-dichlorophenyl)-1-[(1-ethylpyrazol-3-yl)methyl]-1-methylthiourea
CID 19452331
1-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-methylthiourea
CID 19452318
3-(2-ethoxyphenyl)-1-methyl-1-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19456212
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-[(1-ethylpyrazol-3-yl)methyl]-1-methylthiourea
CID 19456049
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449817
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
1-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
CID 19456149
1-methyl-3-(2-methylphenyl)-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530780
1-ethyl-3-(2-methylphenyl)-1-naphthalen-1-ylthiourea
CID 23934124
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(5-methylpyrazol-1-yl)acetamide
CID 19531117
1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[2-(difluoromethoxy)phenyl]-1-methylthiourea
CID 19456101

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea (CID 19452316) is 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea is CCn1ccc(CN(C)C(=S)Nc2ccccc2C)n1.
What is the InChIKey of 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The InChIKey is RPCIIJHCYDTXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-4-19-10-9-13(17-19)11-18(3)15(20)16-14-8-6-5-7-12(14)2/h5-10H,4,11H2,1-3H3,(H,16,20).
What are the key properties of 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea has a molecular weight of 288.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 19452316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).