4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one

C13H23N3O — CID 116577831

IUPAC4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one
SMILESCC(C)C(CCN)CCC(=O)c1ccnn1C
InChIInChI=1S/C13H23N3O/c1-10(2)11(6-8-14)4-5-13(17)12-7-9-15-16(12)3/h7,9-11H,4-6,8,14H2,1-3H3
InChIKeyJVYKSSVDNOIDCS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.00
Rot. Bonds7

About 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one

4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one (PubChem CID 116577831) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one
PubChem CID116577831
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one
SMILESCC(C)C(CCN)CCC(=O)c1ccnn1C
InChIInChI=1S/C13H23N3O/c1-10(2)11(6-8-14)4-5-13(17)12-7-9-15-16(12)3/h7,9-11H,4-6,8,14H2,1-3H3
InChIKeyJVYKSSVDNOIDCS-UHFFFAOYSA-N
XLogP2.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-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

4-(2-aminoethyl)-1-(2-ethylpyrazol-3-yl)-5-methylhexan-1-one
CID 116577864
6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
CID 116581593
6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116574723
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
3,4,4-trimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 114972598
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
1-(2-methylpyrazol-3-yl)dodecan-1-one
CID 114972635
2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 114972564
3-(4-aminophenyl)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116605383
4-(2-aminoethyl)-1-(3,5-dimethylphenyl)-5-methylhexan-1-one
CID 116577810

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one (CID 116577831) is 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one is CC(C)C(CCN)CCC(=O)c1ccnn1C.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
The InChIKey is JVYKSSVDNOIDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)11(6-8-14)4-5-13(17)12-7-9-15-16(12)3/h7,9-11H,4-6,8,14H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one has a molecular weight of 237.35 g/mol, XLogP of 2.00, 7 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-(2-methylpyrazol-3-yl)hexan-1-one is sourced from PubChem (CID 116577831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).