[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C15H19N5O — CID 56779477

IUPAC[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C15H19N5O/c1-11-8-12(2)20(18-11)10-13-4-3-7-19(13)15(21)14-9-16-5-6-17-14/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyYSBRFEKPGIGLDD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.59
Rot. Bonds3

About [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56779477) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID56779477
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C15H19N5O/c1-11-8-12(2)20(18-11)10-13-4-3-7-19(13)15(21)14-9-16-5-6-17-14/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyYSBRFEKPGIGLDD-UHFFFAOYSA-N
XLogP1.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 56779477) is [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(C)n(CC2CCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is YSBRFEKPGIGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-8-12(2)20(18-11)10-13-4-3-7-19(13)15(21)14-9-16-5-6-17-14/h5-6,8-9,13H,3-4,7,10H2,1-2H3.
What are the key properties of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 285.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56779477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).