4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one

C17H15N5O — CID 91354547

IUPAC4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one
SMILESCn1cc(Cc2nccnc2-c2c[nH][nH]c2=O)c2ccccc21
InChIInChI=1S/C17H15N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-14-16(19-7-6-18-14)13-9-20-21-17(13)23/h2-7,9-10H,8H2,1H3,(H2,20,21,23)
InChIKeyZRKIKNYTVMAVTA-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.24
Rot. Bonds3

About 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one

4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one (PubChem CID 91354547) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one
PubChem CID91354547
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one
SMILESCn1cc(Cc2nccnc2-c2c[nH][nH]c2=O)c2ccccc21
InChIInChI=1S/C17H15N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-14-16(19-7-6-18-14)13-9-20-21-17(13)23/h2-7,9-10H,8H2,1H3,(H2,20,21,23)
InChIKeyZRKIKNYTVMAVTA-UHFFFAOYSA-N
XLogP2.24
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one (CID 91354547) is 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one is Cn1cc(Cc2nccnc2-c2c[nH][nH]c2=O)c2ccccc21.
What is the InChIKey of 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is ZRKIKNYTVMAVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-14-16(19-7-6-18-14)13-9-20-21-17(13)23/h2-7,9-10H,8H2,1H3,(H2,20,21,23).
What are the key properties of 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one?
4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 305.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 91354547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).