6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide

C12H15N5O2 — CID 91795350

IUPAC6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide
SMILESCCCn1cc(CNC(=O)c2c[nH]c(=O)cn2)cn1
InChIInChI=1S/C12H15N5O2/c1-2-3-17-8-9(5-16-17)4-15-12(19)10-6-14-11(18)7-13-10/h5-8H,2-4H2,1H3,(H,14,18)(H,15,19)
InChIKeyJVLYBRCNPNEQIO-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.31
Rot. Bonds5

About 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide

6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide (PubChem CID 91795350) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide
PubChem CID91795350
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide
SMILESCCCn1cc(CNC(=O)c2c[nH]c(=O)cn2)cn1
InChIInChI=1S/C12H15N5O2/c1-2-3-17-8-9(5-16-17)4-15-12(19)10-6-14-11(18)7-13-10/h5-8H,2-4H2,1H3,(H,14,18)(H,15,19)
InChIKeyJVLYBRCNPNEQIO-UHFFFAOYSA-N
XLogP0.31
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide (CID 91795350) is 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide is CCCn1cc(CNC(=O)c2c[nH]c(=O)cn2)cn1.
What is the InChIKey of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
The InChIKey is JVLYBRCNPNEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-3-17-8-9(5-16-17)4-15-12(19)10-6-14-11(18)7-13-10/h5-8H,2-4H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91795350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).