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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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine
CID 124978004
1-[2-[2-(5-methyl-1H-pyrazol-3-yl)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110102001
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
2-methoxy-1-[2-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101473
1-[3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101486
1-[2-[3-[(1-methylimidazol-2-yl)methylamino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110257549
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101313
1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124994513
1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 73439316

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).