2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide

C15H24N4O2 — CID 56877731

IUPAC2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide
SMILESCc1c(CN(C)C(=O)C(=O)N2CCCCCC2)cnn1C
InChIInChI=1S/C15H24N4O2/c1-12-13(10-16-18(12)3)11-17(2)14(20)15(21)19-8-6-4-5-7-9-19/h10H,4-9,11H2,1-3H3
InChIKeyIMEWDUOBHZKFAG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.09
Rot. Bonds2

About 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide

2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide (PubChem CID 56877731) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide
PubChem CID56877731
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide
SMILESCc1c(CN(C)C(=O)C(=O)N2CCCCCC2)cnn1C
InChIInChI=1S/C15H24N4O2/c1-12-13(10-16-18(12)3)11-17(2)14(20)15(21)19-8-6-4-5-7-9-19/h10H,4-9,11H2,1-3H3
InChIKeyIMEWDUOBHZKFAG-UHFFFAOYSA-N
XLogP1.09
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpiperidine-1-sulfonamide
CID 138044775
2-(aminomethyl)-1-(azepan-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 79584553
methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 22196471
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19456413
2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
CID 79596439
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22771483
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19456466
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone
CID 89185858

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide (CID 56877731) is 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide is Cc1c(CN(C)C(=O)C(=O)N2CCCCCC2)cnn1C.
What is the InChIKey of 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide?
The InChIKey is IMEWDUOBHZKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-13(10-16-18(12)3)11-17(2)14(20)15(21)19-8-6-4-5-7-9-19/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide?
2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 56877731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).