1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea

C18H23N7O2 — CID 72916109

IUPAC1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCOCCn1cnnc1CN(C)C(=O)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C18H23N7O2/c1-23(12-17-21-19-13-25(17)9-10-27-3)18(26)20-16-11-15(22-24(16)2)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,26)
InChIKeyRDCSSZNRTLXSQC-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.99
Rot. Bonds7

About 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea

1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea (PubChem CID 72916109) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
PubChem CID72916109
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCOCCn1cnnc1CN(C)C(=O)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C18H23N7O2/c1-23(12-17-21-19-13-25(17)9-10-27-3)18(26)20-16-11-15(22-24(16)2)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,26)
InChIKeyRDCSSZNRTLXSQC-UHFFFAOYSA-N
XLogP1.99
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 131914732
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72868270
1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72871125
4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
CID 131904939
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea
CID 121495851
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 135114299
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 121496352
N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 46982645
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]-1-methylbenzimidazole-5-carboxylic acid
CID 134706798
N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 155909949

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The IUPAC name of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea (CID 72916109) is 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The canonical SMILES for 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea is COCCn1cnnc1CN(C)C(=O)Nc1cc(-c2ccccc2)nn1C.
What is the InChIKey of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The InChIKey is RDCSSZNRTLXSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-23(12-17-21-19-13-25(17)9-10-27-3)18(26)20-16-11-15(22-24(16)2)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,26).
What are the key properties of 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea has a molecular weight of 369.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 72916109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).