1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea

C16H15ClN6O — CID 119102710

IUPAC1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2cnccn2)n1)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN6O/c17-12-3-1-2-4-13(12)21-16(24)20-8-10-23-9-5-14(22-23)15-11-18-6-7-19-15/h1-7,9,11H,8,10H2,(H2,20,21,24)
InChIKeyRCYDHIABQNULEM-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea

1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea (PubChem CID 119102710) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea
PubChem CID119102710
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccc(-c2cnccn2)n1)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN6O/c17-12-3-1-2-4-13(12)21-16(24)20-8-10-23-9-5-14(22-23)15-11-18-6-7-19-15/h1-7,9,11H,8,10H2,(H2,20,21,24)
InChIKeyRCYDHIABQNULEM-UHFFFAOYSA-N
XLogP2.82
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
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2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588310
1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078301
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CID 171130620
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CID 90588038
1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278171
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea (CID 119102710) is 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea is O=C(NCCn1ccc(-c2cnccn2)n1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is RCYDHIABQNULEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-12-3-1-2-4-13(12)21-16(24)20-8-10-23-9-5-14(22-23)15-11-18-6-7-19-15/h1-7,9,11H,8,10H2,(H2,20,21,24).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 342.79 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 119102710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).