1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea

C10H17ClN4OS — CID 19465047

IUPAC1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea
SMILESCOCCNC(=S)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C10H17ClN4OS/c1-14(10(17)12-4-5-16-3)7-9-8(11)6-13-15(9)2/h6H,4-5,7H2,1-3H3,(H,12,17)
InChIKeyTZTVOBDGFGTIGZ-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.03
Rot. Bonds5

About 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea

1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea (PubChem CID 19465047) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea
PubChem CID19465047
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea
SMILESCOCCNC(=S)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C10H17ClN4OS/c1-14(10(17)12-4-5-16-3)7-9-8(11)6-13-15(9)2/h6H,4-5,7H2,1-3H3,(H,12,17)
InChIKeyTZTVOBDGFGTIGZ-UHFFFAOYSA-N
XLogP1.03
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 19464873
1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea
CID 19456107
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2,4-dichlorophenyl)-1-methylthiourea
CID 19465039
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methyl-3-(1-phenylethyl)thiourea
CID 19465006
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[3-(dimethylamino)propyl]-1-methylthiourea
CID 19464874
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methyl-3-(2-phenylethyl)thiourea
CID 19464871
4-chloro-5-(methoxymethyl)-1-methylpyrazole
CID 19779911
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea
CID 19343258
1-[(5-chlorothiophen-2-yl)methyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 115571244

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea?
The IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea (CID 19465047) is 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea is COCCNC(=S)N(C)Cc1c(Cl)cnn1C.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea?
The InChIKey is TZTVOBDGFGTIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-14(10(17)12-4-5-16-3)7-9-8(11)6-13-15(9)2/h6H,4-5,7H2,1-3H3,(H,12,17).
What are the key properties of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea?
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea has a molecular weight of 276.79 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(2-methoxyethyl)-1-methylthiourea is sourced from PubChem (CID 19465047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).