N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide

C15H15N5O — CID 53163992

IUPACN-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCCn1nc(CNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C15H15N5O/c1-2-20-14-6-4-3-5-11(14)12(19-20)10-18-15(21)13-9-16-7-8-17-13/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyOURYOLIJQAQCAG-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.78
Rot. Bonds4

About N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide

N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 53163992) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID53163992
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCCn1nc(CNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C15H15N5O/c1-2-20-14-6-4-3-5-11(14)12(19-20)10-18-15(21)13-9-16-7-8-17-13/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyOURYOLIJQAQCAG-UHFFFAOYSA-N
XLogP1.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide (CID 53163992) is N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide is CCn1nc(CNC(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is OURYOLIJQAQCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-20-14-6-4-3-5-11(14)12(19-20)10-18-15(21)13-9-16-7-8-17-13/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide?
N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 53163992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).