6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one

C13H23N3O — CID 116574759

IUPAC6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
SMILESCCn1nccc1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H23N3O/c1-4-16-11(6-10-15-16)12(17)5-7-13(2,3)8-9-14/h6,10H,4-5,7-9,14H2,1-3H3
InChIKeyODFXQTKGZHEPIB-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.24
Rot. Bonds7

About 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one

6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one (PubChem CID 116574759) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
PubChem CID116574759
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
SMILESCCn1nccc1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C13H23N3O/c1-4-16-11(6-10-15-16)12(17)5-7-13(2,3)8-9-14/h6,10H,4-5,7-9,14H2,1-3H3
InChIKeyODFXQTKGZHEPIB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116574723
1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropan-1-one
CID 105100320
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
4-(2-aminoethyl)-1-(2-ethylpyrazol-3-yl)-5-methylhexan-1-one
CID 116577864
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
3-(diethylamino)-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 79077603
3-amino-1-(2-ethylpyrazol-3-yl)-5,5-dimethylhexan-1-one
CID 116614577
2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
CID 116611379
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
CID 103447067
6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
CID 116581593
4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine
CID 79592012
2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 116578933

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one?
The IUPAC name of 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one (CID 116574759) is 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one.
What is the SMILES notation for 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one?
The canonical SMILES for 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one is CCn1nccc1C(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one?
The InChIKey is ODFXQTKGZHEPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-16-11(6-10-15-16)12(17)5-7-13(2,3)8-9-14/h6,10H,4-5,7-9,14H2,1-3H3.
What are the key properties of 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one?
6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one has a molecular weight of 237.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one is sourced from PubChem (CID 116574759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).