1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea

C15H20N4S — CID 19464805

IUPAC1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea
SMILESCC(NC(=S)N(C)Cc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H20N4S/c1-12(13-7-5-4-6-8-13)17-15(20)18(2)11-14-9-10-16-19(14)3/h4-10,12H,11H2,1-3H3,(H,17,20)
InChIKeyIWCPZPZJEIESGA-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.49
Rot. Bonds4

About 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea

1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea (PubChem CID 19464805) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea.

Molecular Properties

Compound Name1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea
PubChem CID19464805
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea
SMILESCC(NC(=S)N(C)Cc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H20N4S/c1-12(13-7-5-4-6-8-13)17-15(20)18(2)11-14-9-10-16-19(14)3/h4-10,12H,11H2,1-3H3,(H,17,20)
InChIKeyIWCPZPZJEIESGA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methyl-3-(1-phenylethyl)thiourea
CID 19465006
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19464839
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)guanidine
CID 110949158
3-[2-(difluoromethoxy)phenyl]-1-methyl-1-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19464840
1-benzyl-1-[(3,4-dichlorophenyl)methyl]-3-[(1R)-1-phenylethyl]thiourea
CID 29039412
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea?
The IUPAC name of 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea (CID 19464805) is 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea.
What is the SMILES notation for 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea?
The canonical SMILES for 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea is CC(NC(=S)N(C)Cc1ccnn1C)c1ccccc1.
What is the InChIKey of 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea?
The InChIKey is IWCPZPZJEIESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12(13-7-5-4-6-8-13)17-15(20)18(2)11-14-9-10-16-19(14)3/h4-10,12H,11H2,1-3H3,(H,17,20).
What are the key properties of 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea?
1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea has a molecular weight of 288.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylethyl)thiourea is sourced from PubChem (CID 19464805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).