1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one

C16H27ClN2O2 — CID 115815131

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
SMILESCCCCCCCCCC(=O)c1c(Cl)cnn1CCOC
InChIInChI=1S/C16H27ClN2O2/c1-3-4-5-6-7-8-9-10-15(20)16-14(17)13-18-19(16)11-12-21-2/h13H,3-12H2,1-2H3
InChIKeyUFZTZWRBBLQHPG-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.51
Rot. Bonds12

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one (PubChem CID 115815131) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
PubChem CID115815131
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
SMILESCCCCCCCCCC(=O)c1c(Cl)cnn1CCOC
InChIInChI=1S/C16H27ClN2O2/c1-3-4-5-6-7-8-9-10-15(20)16-14(17)13-18-19(16)11-12-21-2/h13H,3-12H2,1-2H3
InChIKeyUFZTZWRBBLQHPG-UHFFFAOYSA-N
XLogP4.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-one
CID 115815222
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-methoxypropan-1-one
CID 114639468
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-one
CID 105135461
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone
CID 114639797

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one (CID 115815131) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one is CCCCCCCCCC(=O)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one?
The InChIKey is UFZTZWRBBLQHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-3-4-5-6-7-8-9-10-15(20)16-14(17)13-18-19(16)11-12-21-2/h13H,3-12H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one has a molecular weight of 314.86 g/mol, XLogP of 4.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one is sourced from PubChem (CID 115815131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).