2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one

C13H15N3O — CID 103132973

IUPAC2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one
SMILESCn1ccc(C(=O)C(N)Cc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-16-8-7-12(15-16)13(17)11(14)9-10-5-3-2-4-6-10/h2-8,11H,9,14H2,1H3
InChIKeyUCHYDUUCVZYMKL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one

2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one (PubChem CID 103132973) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one
PubChem CID103132973
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one
SMILESCn1ccc(C(=O)C(N)Cc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-16-8-7-12(15-16)13(17)11(14)9-10-5-3-2-4-6-10/h2-8,11H,9,14H2,1H3
InChIKeyUCHYDUUCVZYMKL-UHFFFAOYSA-N
XLogP1.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
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4-amino-5-phenylpentane-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one (CID 103132973) is 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one is Cn1ccc(C(=O)C(N)Cc2ccccc2)n1.
What is the InChIKey of 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one?
The InChIKey is UCHYDUUCVZYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-8-7-12(15-16)13(17)11(14)9-10-5-3-2-4-6-10/h2-8,11H,9,14H2,1H3.
What are the key properties of 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one?
2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one has a molecular weight of 229.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 103132973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).