2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone

C18H26N6O — CID 50953285

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCc1cccnc1CN1CCN(C(=O)C(N)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C18H26N6O/c1-12-5-4-6-20-15(12)11-23-7-9-24(10-8-23)18(25)17(19)16-13(2)21-22-14(16)3/h4-6,17H,7-11,19H2,1-3H3,(H,21,22)
InChIKeyDGBCDFYKLKGONR-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone (PubChem CID 50953285) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
PubChem CID50953285
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCc1cccnc1CN1CCN(C(=O)C(N)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C18H26N6O/c1-12-5-4-6-20-15(12)11-23-7-9-24(10-8-23)18(25)17(19)16-13(2)21-22-14(16)3/h4-6,17H,7-11,19H2,1-3H3,(H,21,22)
InChIKeyDGBCDFYKLKGONR-UHFFFAOYSA-N
XLogP1.07
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone (CID 50953285) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone is Cc1cccnc1CN1CCN(C(=O)C(N)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is DGBCDFYKLKGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-5-4-6-20-15(12)11-23-7-9-24(10-8-23)18(25)17(19)16-13(2)21-22-14(16)3/h4-6,17H,7-11,19H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 342.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 50953285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).