3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one

C11H19N3O — CID 116610954

IUPAC3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCCC(C)(CN)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-4-11(2,8-12)10(15)5-9-6-13-14(3)7-9/h6-7H,4-5,8,12H2,1-3H3
InChIKeyVIZBJWPUXYDOBT-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.91
Rot. Bonds5

About 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one

3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one (PubChem CID 116610954) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
PubChem CID116610954
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCCC(C)(CN)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-4-11(2,8-12)10(15)5-9-6-13-14(3)7-9/h6-7H,4-5,8,12H2,1-3H3
InChIKeyVIZBJWPUXYDOBT-UHFFFAOYSA-N
XLogP0.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116746650
2-(aminomethyl)-2-methyl-N-(1-methylpyrazol-4-yl)butanamide
CID 114290367
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
3-(aminomethyl)-1-(3,5-difluorophenyl)-3-methylpentan-2-one
CID 105412081
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119572498
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
3-(aminomethyl)-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116610858
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116588939
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The IUPAC name of 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one (CID 116610954) is 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The canonical SMILES for 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one is CCC(C)(CN)C(=O)Cc1cnn(C)c1.
What is the InChIKey of 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The InChIKey is VIZBJWPUXYDOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(2,8-12)10(15)5-9-6-13-14(3)7-9/h6-7H,4-5,8,12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one is sourced from PubChem (CID 116610954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).