2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone

C12H13N3O — CID 116551131

IUPAC2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
SMILESCn1cc(C(=O)C(N)c2ccccc2)cn1
InChIInChI=1S/C12H13N3O/c1-15-8-10(7-14-15)12(16)11(13)9-5-3-2-4-6-9/h2-8,11H,13H2,1H3
InChIKeyNUYYCBSZAPVVQR-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone

2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone (PubChem CID 116551131) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
PubChem CID116551131
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
SMILESCn1cc(C(=O)C(N)c2ccccc2)cn1
InChIInChI=1S/C12H13N3O/c1-15-8-10(7-14-15)12(16)11(13)9-5-3-2-4-6-9/h2-8,11H,13H2,1H3
InChIKeyNUYYCBSZAPVVQR-UHFFFAOYSA-N
XLogP1.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82595197
2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
CID 116604826
2-amino-1-(4-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116605016
N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
CID 51101144
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114668233
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933
(4-benzhydrylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041253
methyl 2-methyl-3-(1-methylpyrazol-4-yl)-3-oxopropanoate
CID 65198194
4-amino-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116594802
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone (CID 116551131) is 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone is Cn1cc(C(=O)C(N)c2ccccc2)cn1.
What is the InChIKey of 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone?
The InChIKey is NUYYCBSZAPVVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-8-10(7-14-15)12(16)11(13)9-5-3-2-4-6-9/h2-8,11H,13H2,1H3.
What are the key properties of 2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone?
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone has a molecular weight of 215.26 g/mol, XLogP of 1.30, 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-methylpyrazol-4-yl)-2-phenylethanone is sourced from PubChem (CID 116551131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).