2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one

C10H17N3O — CID 127002507

IUPAC2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cn(C)nc1C
InChIInChI=1S/C10H17N3O/c1-5-10(3,11)9(14)8-6-13(4)12-7(8)2/h6H,5,11H2,1-4H3
InChIKeyQETSKRHYDYWMIV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one

2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one (PubChem CID 127002507) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one
PubChem CID127002507
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cn(C)nc1C
InChIInChI=1S/C10H17N3O/c1-5-10(3,11)9(14)8-6-13(4)12-7(8)2/h6H,5,11H2,1-4H3
InChIKeyQETSKRHYDYWMIV-UHFFFAOYSA-N
XLogP1.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one
CID 130634206
1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylhexan-1-one
CID 134301353
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
N-(1-chloro-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168062
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119568953
ethyl (2R)-2-amino-2-(1,3-dimethylpyrazol-4-yl)propanoate
CID 125482052
N-(1-bromo-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168814
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 114168450
N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820667

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one (CID 127002507) is 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one is CCC(C)(N)C(=O)c1cn(C)nc1C.
What is the InChIKey of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one?
The InChIKey is QETSKRHYDYWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-10(3,11)9(14)8-6-13(4)12-7(8)2/h6H,5,11H2,1-4H3.
What are the key properties of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one?
2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one has a molecular weight of 195.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one is sourced from PubChem (CID 127002507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).