1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C17H21N7O — CID 71868594

IUPAC1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCN(Cc1ncnn1C)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H21N7O/c1-22(12-16-19-13-21-23(16)2)17(25)18-10-8-14-4-6-15(7-5-14)24-11-3-9-20-24/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,25)
InChIKeyFZXJBJZQUHFKRP-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.38
Rot. Bonds6

About 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 71868594) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID71868594
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCN(Cc1ncnn1C)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H21N7O/c1-22(12-16-19-13-21-23(16)2)17(25)18-10-8-14-4-6-15(7-5-14)24-11-3-9-20-24/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,25)
InChIKeyFZXJBJZQUHFKRP-UHFFFAOYSA-N
XLogP1.38
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608922
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1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
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2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111705464
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264
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2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
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1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 71868594) is 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is CN(Cc1ncnn1C)C(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is FZXJBJZQUHFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-22(12-16-19-13-21-23(16)2)17(25)18-10-8-14-4-6-15(7-5-14)24-11-3-9-20-24/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,25).
What are the key properties of 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 339.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 71868594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).