1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one

C10H17N3O — CID 65360330

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H17N3O/c1-4-7(2)5-9(14)8-6-12-13(3)10(8)11/h6-7H,4-5,11H2,1-3H3
InChIKeyCLZZUNKBUSOIGT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds4

About 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one

1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one (PubChem CID 65360330) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one
PubChem CID65360330
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H17N3O/c1-4-7(2)5-9(14)8-6-12-13(3)10(8)11/h6-7H,4-5,11H2,1-3H3
InChIKeyCLZZUNKBUSOIGT-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one (CID 65360330) is 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one is CCC(C)CC(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one?
The InChIKey is CLZZUNKBUSOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-7(2)5-9(14)8-6-12-13(3)10(8)11/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one?
1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one has a molecular weight of 195.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-3-methylpentan-1-one is sourced from PubChem (CID 65360330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).