2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine

C22H20N4O — CID 30852160

IUPAC2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine
SMILESCOc1cccc(Cn2ccc(-c3cccc(-c4nccnc4C)c3)n2)c1
InChIInChI=1S/C22H20N4O/c1-16-22(24-11-10-23-16)19-7-4-6-18(14-19)21-9-12-26(25-21)15-17-5-3-8-20(13-17)27-2/h3-14H,15H2,1-2H3
InChIKeyFSFHFWSOIZACBO-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds5

About 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine

2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine (PubChem CID 30852160) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine.

Molecular Properties

Compound Name2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine
PubChem CID30852160
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine
SMILESCOc1cccc(Cn2ccc(-c3cccc(-c4nccnc4C)c3)n2)c1
InChIInChI=1S/C22H20N4O/c1-16-22(24-11-10-23-16)19-7-4-6-18(14-19)21-9-12-26(25-21)15-17-5-3-8-20(13-17)27-2/h3-14H,15H2,1-2H3
InChIKeyFSFHFWSOIZACBO-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine?
The IUPAC name of 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine (CID 30852160) is 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine.
What is the SMILES notation for 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine?
The canonical SMILES for 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine is COc1cccc(Cn2ccc(-c3cccc(-c4nccnc4C)c3)n2)c1.
What is the InChIKey of 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine?
The InChIKey is FSFHFWSOIZACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-22(24-11-10-23-16)19-7-4-6-18(14-19)21-9-12-26(25-21)15-17-5-3-8-20(13-17)27-2/h3-14H,15H2,1-2H3.
What are the key properties of 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine?
2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine has a molecular weight of 356.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-3-methylpyrazine is sourced from PubChem (CID 30852160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).