1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

C18H25N5O — CID 110102361

IUPAC1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)CC1
InChIInChI=1S/C18H25N5O/c1-12-18(13(2)22(4)21-12)17-11-19-16(10-20-17)9-15-5-7-23(8-6-15)14(3)24/h10-11,15H,5-9H2,1-4H3
InChIKeyCDBUNCPFJKOPPD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.29
Rot. Bonds3

About 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 110102361) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID110102361
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)CC1
InChIInChI=1S/C18H25N5O/c1-12-18(13(2)22(4)21-12)17-11-19-16(10-20-17)9-15-5-7-23(8-6-15)14(3)24/h10-11,15H,5-9H2,1-4H3
InChIKeyCDBUNCPFJKOPPD-UHFFFAOYSA-N
XLogP2.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (CID 110102361) is 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)CC1.
What is the InChIKey of 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is CDBUNCPFJKOPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-18(13(2)22(4)21-12)17-11-19-16(10-20-17)9-15-5-7-23(8-6-15)14(3)24/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110102361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).