2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one

C18H25N5O — CID 92553068

IUPAC2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C18H25N5O/c1-14(2)18(24)23-10-8-22(9-11-23)13-16-12-17(20-21(16)3)15-4-6-19-7-5-15/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyMGJRBEPZFIQCLH-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.78
Rot. Bonds4

About 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 92553068) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID92553068
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C18H25N5O/c1-14(2)18(24)23-10-8-22(9-11-23)13-16-12-17(20-21(16)3)15-4-6-19-7-5-15/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyMGJRBEPZFIQCLH-UHFFFAOYSA-N
XLogP1.78
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one (CID 92553068) is 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1.
What is the InChIKey of 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is MGJRBEPZFIQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)18(24)23-10-8-22(9-11-23)13-16-12-17(20-21(16)3)15-4-6-19-7-5-15/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 92553068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).