1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone

C15H24ClN3O — CID 116582605

IUPAC1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)C2CCCCCN2)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-3-11-15(16)13(19(4-2)18-11)10-14(20)12-8-6-5-7-9-17-12/h12,17H,3-10H2,1-2H3
InChIKeyUIKUZCBGIGFJNP-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.76
Rot. Bonds5

About 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone

1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone (PubChem CID 116582605) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
PubChem CID116582605
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)C2CCCCCN2)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-3-11-15(16)13(19(4-2)18-11)10-14(20)12-8-6-5-7-9-17-12/h12,17H,3-10H2,1-2H3
InChIKeyUIKUZCBGIGFJNP-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone
CID 116576301
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
CID 106634560
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81013078
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 83148157
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448183
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458608
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethylhex-3-en-2-one
CID 103458953
8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one
CID 116551505
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone (CID 116582605) is 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone is CCc1nn(CC)c(CC(=O)C2CCCCCN2)c1Cl.
What is the InChIKey of 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone?
The InChIKey is UIKUZCBGIGFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-11-15(16)13(19(4-2)18-11)10-14(20)12-8-6-5-7-9-17-12/h12,17H,3-10H2,1-2H3.
What are the key properties of 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone?
1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone has a molecular weight of 297.83 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116582605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).