(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C15H20N6O — CID 56780200

IUPAC(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2nccnc2N)n1
InChIInChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)9-12-4-3-7-20(12)15(22)13-14(16)18-6-5-17-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,16,18)
InChIKeySXKBMGDQUSROLI-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.18
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 56780200) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID56780200
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2nccnc2N)n1
InChIInChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)9-12-4-3-7-20(12)15(22)13-14(16)18-6-5-17-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,16,18)
InChIKeySXKBMGDQUSROLI-UHFFFAOYSA-N
XLogP1.18
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351800
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605928
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605972
1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605865
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
5-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 95350716
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 95351418

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 56780200) is (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(CC2CCCN2C(=O)c2nccnc2N)n1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is SXKBMGDQUSROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)9-12-4-3-7-20(12)15(22)13-14(16)18-6-5-17-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,16,18).
What are the key properties of (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 300.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56780200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).