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

C19H17ClN4O2 — CID 53118225

IUPAC1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-4-3-5-14(10-12)22-19(26)23-17-18(25)24(9-8-21-17)15-7-6-13(2)16(20)11-15/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyLKKZWONSAVZGSB-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.15
Rot. Bonds3

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

1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea (PubChem CID 53118225) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea
PubChem CID53118225
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-4-3-5-14(10-12)22-19(26)23-17-18(25)24(9-8-21-17)15-7-6-13(2)16(20)11-15/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyLKKZWONSAVZGSB-UHFFFAOYSA-N
XLogP4.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.15
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-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea (CID 53118225) is 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c1.
What is the InChIKey of 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
The InChIKey is LKKZWONSAVZGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-4-3-5-14(10-12)22-19(26)23-17-18(25)24(9-8-21-17)15-7-6-13(2)16(20)11-15/h3-11H,1-2H3,(H2,21,22,23,26).
What are the key properties of 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea has a molecular weight of 368.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 53118225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).