1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C15H19N5O — CID 95842023

IUPAC1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2-c2cnn(C)c2)CC1
InChIInChI=1S/C15H19N5O/c1-11(21)20-7-3-12(4-8-20)14-15(17-6-5-16-14)13-9-18-19(2)10-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyGXZRGVQRDVOHHC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds2

About 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95842023) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95842023
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2-c2cnn(C)c2)CC1
InChIInChI=1S/C15H19N5O/c1-11(21)20-7-3-12(4-8-20)14-15(17-6-5-16-14)13-9-18-19(2)10-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyGXZRGVQRDVOHHC-UHFFFAOYSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124989647
2,2-dimethyl-1-[(3S)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 125000040
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591
1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110131717
2-(1-methylpyrazol-4-yl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 124641432
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1-ethylpyrazole-4-carboxamide
CID 110117445
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825744
1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821995
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110099989

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95842023) is 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2-c2cnn(C)c2)CC1.
What is the InChIKey of 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GXZRGVQRDVOHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(21)20-7-3-12(4-8-20)14-15(17-6-5-16-14)13-9-18-19(2)10-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95842023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).