1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C14H17N5O — CID 110101703

IUPAC1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccnc1-c1cc(C)[nH]n1
InChIInChI=1S/C14H17N5O/c1-9-8-11(18-17-9)13-14(16-6-5-15-13)12-4-3-7-19(12)10(2)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOXUIKYCJGCIFNK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.86
Rot. Bonds2

About 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110101703) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110101703
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccnc1-c1cc(C)[nH]n1
InChIInChI=1S/C14H17N5O/c1-9-8-11(18-17-9)13-14(16-6-5-15-13)12-4-3-7-19(12)10(2)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOXUIKYCJGCIFNK-UHFFFAOYSA-N
XLogP1.86
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110101703) is 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nccnc1-c1cc(C)[nH]n1.
What is the InChIKey of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is OXUIKYCJGCIFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-8-11(18-17-9)13-14(16-6-5-15-13)12-4-3-7-19(12)10(2)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110101703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).