6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one

C12H21N3O — CID 116574723

IUPAC6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
SMILESCn1nccc1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H21N3O/c1-12(2,7-8-13)6-4-11(16)10-5-9-14-15(10)3/h5,9H,4,6-8,13H2,1-3H3
InChIKeyMWQDOEFDEXNQGK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.76
Rot. Bonds6

About 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one

6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one (PubChem CID 116574723) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
PubChem CID116574723
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
SMILESCn1nccc1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H21N3O/c1-12(2,7-8-13)6-4-11(16)10-5-9-14-15(10)3/h5,9H,4,6-8,13H2,1-3H3
InChIKeyMWQDOEFDEXNQGK-UHFFFAOYSA-N
XLogP1.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
CID 116574759
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentane-1,3-dione
CID 106758284
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116577831
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
6-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669436
1-(2-methylpyrazol-3-yl)dodecan-1-one
CID 114972635
3-(4-aminophenyl)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116605383
3-methoxy-3-methyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 103023243
3,4,4-trimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 114972598
3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 79078086

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
The IUPAC name of 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one (CID 116574723) is 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
The canonical SMILES for 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one is Cn1nccc1C(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
The InChIKey is MWQDOEFDEXNQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,7-8-13)6-4-11(16)10-5-9-14-15(10)3/h5,9H,4,6-8,13H2,1-3H3.
What are the key properties of 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one?
6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one is sourced from PubChem (CID 116574723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).