1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea

C20H19ClN4O2 — CID 53118232

IUPAC1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea
SMILESCc1c(Cl)cccc1-n1ccnc(NC(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C20H19ClN4O2/c1-14-16(21)8-5-9-17(14)25-13-12-22-18(19(25)26)24-20(27)23-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H2,22,23,24,27)
InChIKeyOATAWUPEFAQZCG-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.56
Rot. Bonds5

About 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea

1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea (PubChem CID 53118232) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea
PubChem CID53118232
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea
SMILESCc1c(Cl)cccc1-n1ccnc(NC(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C20H19ClN4O2/c1-14-16(21)8-5-9-17(14)25-13-12-22-18(19(25)26)24-20(27)23-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H2,22,23,24,27)
InChIKeyOATAWUPEFAQZCG-UHFFFAOYSA-N
XLogP3.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea (CID 53118232) is 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea is Cc1c(Cl)cccc1-n1ccnc(NC(=O)NCCc2ccccc2)c1=O.
What is the InChIKey of 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea?
The InChIKey is OATAWUPEFAQZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-14-16(21)8-5-9-17(14)25-13-12-22-18(19(25)26)24-20(27)23-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H2,22,23,24,27).
What are the key properties of 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea?
1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea has a molecular weight of 382.85 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 53118232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).