2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

C18H25N5O — CID 110102396

IUPAC2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(Cc2cnc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C18H25N5O/c1-18(2,3)17(24)23-6-4-5-13(12-23)7-15-10-20-16(11-19-15)14-8-21-22-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,21,22)
InChIKeyCHNWYNUCERYSMR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.69
Rot. Bonds3

About 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 110102396) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID110102396
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(Cc2cnc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C18H25N5O/c1-18(2,3)17(24)23-6-4-5-13(12-23)7-15-10-20-16(11-19-15)14-8-21-22-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,21,22)
InChIKeyCHNWYNUCERYSMR-UHFFFAOYSA-N
XLogP2.69
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (CID 110102396) is 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCCC(Cc2cnc(-c3cn[nH]c3)cn2)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is CHNWYNUCERYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-18(2,3)17(24)23-6-4-5-13(12-23)7-15-10-20-16(11-19-15)14-8-21-22-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,21,22).
What are the key properties of 2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.69, 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-[3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110102396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).