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

C13H23N5O — CID 80682467

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCn1cc(CCNC(=O)CN2CCCNCC2)cn1
InChIInChI=1S/C13H23N5O/c1-17-10-12(9-16-17)3-5-15-13(19)11-18-7-2-4-14-6-8-18/h9-10,14H,2-8,11H2,1H3,(H,15,19)
InChIKeyFXOPMSXFDVQDJV-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.63
Rot. Bonds5

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

2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 80682467) 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-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID80682467
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCn1cc(CCNC(=O)CN2CCCNCC2)cn1
InChIInChI=1S/C13H23N5O/c1-17-10-12(9-16-17)3-5-15-13(19)11-18-7-2-4-14-6-8-18/h9-10,14H,2-8,11H2,1H3,(H,15,19)
InChIKeyFXOPMSXFDVQDJV-UHFFFAOYSA-N
XLogP-0.63
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105029
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 118770404
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
CID 80682195
2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047483
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106416092
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 80682467) is 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is Cn1cc(CCNC(=O)CN2CCCNCC2)cn1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is FXOPMSXFDVQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-10-12(9-16-17)3-5-15-13(19)11-18-7-2-4-14-6-8-18/h9-10,14H,2-8,11H2,1H3,(H,15,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of -0.63, 5 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-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 80682467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).