(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone

C13H15N3O2 — CID 104940695

IUPAC(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
SMILESCOc1cnn(C)c1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-16-12(10(18-2)8-15-16)13(17)11(14)9-6-4-3-5-7-9/h3-8,11H,14H2,1-2H3/t11-/m1/s1
InChIKeyYGPKXNKMEKLSFP-LLVKDONJSA-N
MW245.28 g/mol
LogP1.31
Rot. Bonds4

About (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone

(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone (PubChem CID 104940695) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
PubChem CID104940695
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
SMILESCOc1cnn(C)c1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-16-12(10(18-2)8-15-16)13(17)11(14)9-6-4-3-5-7-9/h3-8,11H,14H2,1-2H3/t11-/m1/s1
InChIKeyYGPKXNKMEKLSFP-LLVKDONJSA-N
XLogP1.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone (CID 104940695) is (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone is COc1cnn(C)c1C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone?
The InChIKey is YGPKXNKMEKLSFP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-12(10(18-2)8-15-16)13(17)11(14)9-6-4-3-5-7-9/h3-8,11H,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone?
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone has a molecular weight of 245.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone is sourced from PubChem (CID 104940695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).