4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one

C15H27N3O — CID 116577813

IUPAC4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one
SMILESCCCn1cc(C(=O)CCC(CCN)C(C)C)cn1
InChIInChI=1S/C15H27N3O/c1-4-9-18-11-14(10-17-18)15(19)6-5-13(7-8-16)12(2)3/h10-13H,4-9,16H2,1-3H3
InChIKeyNZVMZIRBPZHOQF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.88
Rot. Bonds9

About 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one

4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one (PubChem CID 116577813) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one
PubChem CID116577813
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one
SMILESCCCn1cc(C(=O)CCC(CCN)C(C)C)cn1
InChIInChI=1S/C15H27N3O/c1-4-9-18-11-14(10-17-18)15(19)6-5-13(7-8-16)12(2)3/h10-13H,4-9,16H2,1-3H3
InChIKeyNZVMZIRBPZHOQF-UHFFFAOYSA-N
XLogP2.88
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871
ethyl 4-oxo-4-(1-propylpyrazol-4-yl)butanoate
CID 103572842
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116577831
4-(2-aminoethyl)-1-(3,5-dimethylphenyl)-5-methylhexan-1-one
CID 116577810
2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
CID 105082191
6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
CID 116549892
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116555498
4-(2-aminoethyl)-1-(2-ethylpyrazol-3-yl)-5-methylhexan-1-one
CID 116577864
3-(4-aminophenyl)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116612661

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one (CID 116577813) is 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one is CCCn1cc(C(=O)CCC(CCN)C(C)C)cn1.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one?
The InChIKey is NZVMZIRBPZHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-18-11-14(10-17-18)15(19)6-5-13(7-8-16)12(2)3/h10-13H,4-9,16H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one?
4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one is sourced from PubChem (CID 116577813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).