2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide

C13H23N5O — CID 107463051

IUPAC2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)cc1NC(=O)CN1CCCNCC1
InChIInChI=1S/C13H23N5O/c1-3-11-12(9-17(2)16-11)15-13(19)10-18-7-4-5-14-6-8-18/h9,14H,3-8,10H2,1-2H3,(H,15,19)
InChIKeyXYKWMEZXTVRSMA-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.22
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide

2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide (PubChem CID 107463051) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
PubChem CID107463051
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)cc1NC(=O)CN1CCCNCC1
InChIInChI=1S/C13H23N5O/c1-3-11-12(9-17(2)16-11)15-13(19)10-18-7-4-5-14-6-8-18/h9,14H,3-8,10H2,1-2H3,(H,15,19)
InChIKeyXYKWMEZXTVRSMA-UHFFFAOYSA-N
XLogP0.22
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide
CID 107463082
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
CID 103585983
2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107463005
N-(2-bromo-5-methylphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 82756955
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 80682467
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide (CID 107463051) is 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide is CCc1nn(C)cc1NC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The InChIKey is XYKWMEZXTVRSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-11-12(9-17(2)16-11)15-13(19)10-18-7-4-5-14-6-8-18/h9,14H,3-8,10H2,1-2H3,(H,15,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.22, 4 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)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 107463051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).