2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

C19H27N5O — CID 110102368

IUPAC2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1-c1cnc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C19H27N5O/c1-13-16(11-22-23-13)17-12-20-15(10-21-17)9-14-5-7-24(8-6-14)18(25)19(2,3)4/h10-12,14H,5-9H2,1-4H3,(H,22,23)
InChIKeyVPABWTOUYUFRQY-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.00
Rot. Bonds3

About 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 110102368) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID110102368
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1-c1cnc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C19H27N5O/c1-13-16(11-22-23-13)17-12-20-15(10-21-17)9-14-5-7-24(8-6-14)18(25)19(2,3)4/h10-12,14H,5-9H2,1-4H3,(H,22,23)
InChIKeyVPABWTOUYUFRQY-UHFFFAOYSA-N
XLogP3.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124971600
1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 124989609
1-[4-[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110102442
2,2-dimethyl-1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110101070
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 124951805
2-(5-methyl-1H-pyrazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
CID 110102383
1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125015816
2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110096699
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
(4R)-3-[5-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 125014103
1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110131561
tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate
CID 124941168

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (CID 110102368) is 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is Cc1[nH]ncc1-c1cnc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1.
What is the InChIKey of 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is VPABWTOUYUFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-16(11-22-23-13)17-12-20-15(10-21-17)9-14-5-7-24(8-6-14)18(25)19(2,3)4/h10-12,14H,5-9H2,1-4H3,(H,22,23).
What are the key properties of 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110102368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).