1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea

C15H20N4S — CID 19325050

IUPAC1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea
SMILESCCn1ncc(CNC(=S)Nc2ccc(C)cc2)c1C
InChIInChI=1S/C15H20N4S/c1-4-19-12(3)13(10-17-19)9-16-15(20)18-14-7-5-11(2)6-8-14/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20)
InChIKeyMBDILCYKQPBDEC-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.01
Rot. Bonds4

About 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea

1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea (PubChem CID 19325050) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea
PubChem CID19325050
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea
SMILESCCn1ncc(CNC(=S)Nc2ccc(C)cc2)c1C
InChIInChI=1S/C15H20N4S/c1-4-19-12(3)13(10-17-19)9-16-15(20)18-14-7-5-11(2)6-8-14/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20)
InChIKeyMBDILCYKQPBDEC-UHFFFAOYSA-N
XLogP3.01
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.01
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-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)thiourea
CID 19325073
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea
CID 19324930
1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
CID 17378582
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]thiourea
CID 19325091
1,3-bis[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445910
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
1-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19344054
methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 3290629
1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea
CID 19324755
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 3836543
1-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea
CID 17283784

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea (CID 19325050) is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea is CCn1ncc(CNC(=S)Nc2ccc(C)cc2)c1C.
What is the InChIKey of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea?
The InChIKey is MBDILCYKQPBDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-4-19-12(3)13(10-17-19)9-16-15(20)18-14-7-5-11(2)6-8-14/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea?
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea has a molecular weight of 288.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 19325050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).