1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one

C17H30N2O2 — CID 115810940

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1c(OC)cnn1CCC
InChIInChI=1S/C17H30N2O2/c1-4-6-7-8-9-10-11-12-15(20)17-16(21-3)14-18-19(17)13-5-2/h14H,4-13H2,1-3H3
InChIKeyKKMAOXYXMNIEEN-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.63
Rot. Bonds12

About 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one

1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one (PubChem CID 115810940) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
PubChem CID115810940
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1c(OC)cnn1CCC
InChIInChI=1S/C17H30N2O2/c1-4-6-7-8-9-10-11-12-15(20)17-16(21-3)14-18-19(17)13-5-2/h14H,4-13H2,1-3H3
InChIKeyKKMAOXYXMNIEEN-UHFFFAOYSA-N
XLogP4.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.63
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
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
CID 115815131
5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114639487
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114639732
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one (CID 115810940) is 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one is CCCCCCCCCC(=O)c1c(OC)cnn1CCC.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one?
The InChIKey is KKMAOXYXMNIEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-6-7-8-9-10-11-12-15(20)17-16(21-3)14-18-19(17)13-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one?
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one has a molecular weight of 294.44 g/mol, XLogP of 4.63, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one is sourced from PubChem (CID 115810940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).