5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one

C13H23N3O — CID 103023752

IUPAC5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
SMILESCn1nccc1CCC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H23N3O/c1-12(2,13(3,4)14)11(17)7-6-10-8-9-15-16(10)5/h8-9H,6-7,14H2,1-5H3
InChIKeyLVKDYZWZSPPPIB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.69
Rot. Bonds5

About 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one

5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one (PubChem CID 103023752) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one.

Molecular Properties

Compound Name5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
PubChem CID103023752
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
SMILESCn1nccc1CCC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H23N3O/c1-12(2,13(3,4)14)11(17)7-6-10-8-9-15-16(10)5/h8-9H,6-7,14H2,1-5H3
InChIKeyLVKDYZWZSPPPIB-UHFFFAOYSA-N
XLogP1.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024248
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007545
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
1-(5-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007478
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503

Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
The IUPAC name of 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one (CID 103023752) is 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one.
What is the SMILES notation for 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
The canonical SMILES for 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one is Cn1nccc1CCC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
The InChIKey is LVKDYZWZSPPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2,13(3,4)14)11(17)7-6-10-8-9-15-16(10)5/h8-9H,6-7,14H2,1-5H3.
What are the key properties of 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one?
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one is sourced from PubChem (CID 103023752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).