2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide

C11H19N5O — CID 54892267

IUPAC2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(C(N)=O)N2CCCNCC2)cn1
InChIInChI=1S/C11H19N5O/c1-15-8-9(7-14-15)10(11(12)17)16-5-2-3-13-4-6-16/h7-8,10,13H,2-6H2,1H3,(H2,12,17)
InChIKeyLFBRCPOHZPMMTK-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.76
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 54892267) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID54892267
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(C(N)=O)N2CCCNCC2)cn1
InChIInChI=1S/C11H19N5O/c1-15-8-9(7-14-15)10(11(12)17)16-5-2-3-13-4-6-16/h7-8,10,13H,2-6H2,1H3,(H2,12,17)
InChIKeyLFBRCPOHZPMMTK-UHFFFAOYSA-N
XLogP-0.76
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromothiophen-3-yl)-2-(1,4-diazepan-1-yl)acetamide
CID 112739748
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide
CID 112755465
2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol
CID 61055312
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 65026244
2-(1,4-diazepane-1-carbonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289155
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
CID 60995776
2-(1-methylpyrazol-4-yl)-1-piperazin-1-ylbutan-1-one
CID 82510773
methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
CID 54892096
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 54892267) is 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(C(N)=O)N2CCCNCC2)cn1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is LFBRCPOHZPMMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-8-9(7-14-15)10(11(12)17)16-5-2-3-13-4-6-16/h7-8,10,13H,2-6H2,1H3,(H2,12,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 237.31 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 54892267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).