1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one

C16H27ClN2O — CID 115778515

IUPAC1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one
SMILESCCCCC(CC)C(=O)Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C16H27ClN2O/c1-5-9-10-12(6-2)15(20)11-14-16(17)13(7-3)18-19(14)8-4/h12H,5-11H2,1-4H3
InChIKeyFSUZKEPYTNDZFZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.45
Rot. Bonds9

About 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one

1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one (PubChem CID 115778515) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one
PubChem CID115778515
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one
SMILESCCCCC(CC)C(=O)Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C16H27ClN2O/c1-5-9-10-12(6-2)15(20)11-14-16(17)13(7-3)18-19(14)8-4/h12H,5-11H2,1-4H3
InChIKeyFSUZKEPYTNDZFZ-UHFFFAOYSA-N
XLogP4.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one 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

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-methylpent-3-en-2-one
CID 103455647
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 83148157
7-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-5,5-dimethylheptan-2-one
CID 116574846
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanone
CID 114031567
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105111157
3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one
CID 116583961
1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116582605
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 115778565
7-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methyloctan-2-one
CID 116574379

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one?
The IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one (CID 115778515) is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one.
What is the SMILES notation for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one?
The canonical SMILES for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one is CCCCC(CC)C(=O)Cc1c(Cl)c(CC)nn1CC.
What is the InChIKey of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one?
The InChIKey is FSUZKEPYTNDZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-5-9-10-12(6-2)15(20)11-14-16(17)13(7-3)18-19(14)8-4/h12H,5-11H2,1-4H3.
What are the key properties of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one?
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one has a molecular weight of 298.86 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one is sourced from PubChem (CID 115778515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).