1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C16H21N5O — CID 110102412

IUPAC1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1
InChIInChI=1S/C16H21N5O/c1-10-16(11(2)20-19-10)15-8-17-14(7-18-15)6-13-4-5-21(9-13)12(3)22/h7-8,13H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyISGAMQWMYMMNQC-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.89
Rot. Bonds3

About 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110102412) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110102412
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1
InChIInChI=1S/C16H21N5O/c1-10-16(11(2)20-19-10)15-8-17-14(7-18-15)6-13-4-5-21(9-13)12(3)22/h7-8,13H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyISGAMQWMYMMNQC-UHFFFAOYSA-N
XLogP1.89
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110102412) is 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1.
What is the InChIKey of 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ISGAMQWMYMMNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10-16(11(2)20-19-10)15-8-17-14(7-18-15)6-13-4-5-21(9-13)12(3)22/h7-8,13H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 299.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110102412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).