6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide

C15H21N5O2 — CID 46998021

IUPAC6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1c[nH]c(=O)cn1)C(C)C
InChIInChI=1S/C15H21N5O2/c1-9(2)20(8-12-10(3)18-19(5)11(12)4)15(22)13-6-17-14(21)7-16-13/h6-7,9H,8H2,1-5H3,(H,17,21)
InChIKeyZPKLMUJRYFGPLK-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.17
Rot. Bonds4

About 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide

6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide (PubChem CID 46998021) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide
PubChem CID46998021
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1c[nH]c(=O)cn1)C(C)C
InChIInChI=1S/C15H21N5O2/c1-9(2)20(8-12-10(3)18-19(5)11(12)4)15(22)13-6-17-14(21)7-16-13/h6-7,9H,8H2,1-5H3,(H,17,21)
InChIKeyZPKLMUJRYFGPLK-UHFFFAOYSA-N
XLogP1.17
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
N-cyclopentyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 73951416
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220529
N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220544
N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220546
1-(6-oxo-1-propylpyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202216
1-(6-oxo-1-propylpyridazin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 53202217
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70770761
N-(2-oxo-1H-pyridin-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72148884
2-pyrrolidin-1-yl-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 90651232
3-(2-{isopropyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}ethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 91835895

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide (CID 46998021) is 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1c[nH]c(=O)cn1)C(C)C.
What is the InChIKey of 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
The InChIKey is ZPKLMUJRYFGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(2)20(8-12-10(3)18-19(5)11(12)4)15(22)13-6-17-14(21)7-16-13/h6-7,9H,8H2,1-5H3,(H,17,21).
What are the key properties of 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide?
6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 46998021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).