2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone

C15H26N4O — CID 65283507

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCC(C)(C)CC2)c(C)c1N
InChIInChI=1S/C15H26N4O/c1-11-14(16)12(2)19(17-11)10-13(20)18-8-5-6-15(3,4)7-9-18/h5-10,16H2,1-4H3
InChIKeyJMNHCCQVXRFQOD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds2

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone (PubChem CID 65283507) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone
PubChem CID65283507
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCC(C)(C)CC2)c(C)c1N
InChIInChI=1S/C15H26N4O/c1-11-14(16)12(2)19(17-11)10-13(20)18-8-5-6-15(3,4)7-9-18/h5-10,16H2,1-4H3
InChIKeyJMNHCCQVXRFQOD-UHFFFAOYSA-N
XLogP2.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107390267
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418370
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43502718
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 43445186
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 43382384
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62124766
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 39891679
1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methylpiperidine-3-carbonitrile
CID 90652340

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone (CID 65283507) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone is Cc1nn(CC(=O)N2CCCC(C)(C)CC2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone?
The InChIKey is JMNHCCQVXRFQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-14(16)12(2)19(17-11)10-13(20)18-8-5-6-15(3,4)7-9-18/h5-10,16H2,1-4H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone is sourced from PubChem (CID 65283507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).