2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone

C14H25N5O — CID 104869182

IUPAC2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCC(C)n1cc(CN(C)CC(=O)N2CCNCC2)cn1
InChIInChI=1S/C14H25N5O/c1-12(2)19-10-13(8-16-19)9-17(3)11-14(20)18-6-4-15-5-7-18/h8,10,12,15H,4-7,9,11H2,1-3H3
InChIKeyNXBCHKHLMHKOAY-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.33
Rot. Bonds5

About 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone

2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone (PubChem CID 104869182) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone
PubChem CID104869182
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCC(C)n1cc(CN(C)CC(=O)N2CCNCC2)cn1
InChIInChI=1S/C14H25N5O/c1-12(2)19-10-13(8-16-19)9-17(3)11-14(20)18-6-4-15-5-7-18/h8,10,12,15H,4-7,9,11H2,1-3H3
InChIKeyNXBCHKHLMHKOAY-UHFFFAOYSA-N
XLogP0.33
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
2-fluoro-5-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 107883048
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61017886
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone (CID 104869182) is 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone is CC(C)n1cc(CN(C)CC(=O)N2CCNCC2)cn1.
What is the InChIKey of 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone?
The InChIKey is NXBCHKHLMHKOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-12(2)19-10-13(8-16-19)9-17(3)11-14(20)18-6-4-15-5-7-18/h8,10,12,15H,4-7,9,11H2,1-3H3.
What are the key properties of 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone?
2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone has a molecular weight of 279.39 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 104869182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).