3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one

C13H15N3O — CID 107331628

IUPAC3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESCC(CN)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10(9-14)13(17)12-7-8-15-16(12)11-5-3-2-4-6-11/h2-8,10H,9,14H2,1H3
InChIKeyKKHMZBBFHWSXCT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one

3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one (PubChem CID 107331628) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
PubChem CID107331628
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESCC(CN)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10(9-14)13(17)12-7-8-15-16(12)11-5-3-2-4-6-11/h2-8,10H,9,14H2,1H3
InChIKeyKKHMZBBFHWSXCT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one
CID 107331736
2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331594
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-(aminomethyl)-2-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107331719
2-ethoxy-3,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107330242
2-phenylpyrazole-3-carbothioamide
CID 83387115
2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330168
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
1-(2-phenylpyrazol-3-yl)ethenamine
CID 169217922
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
2-(ethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331632
[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
CID 107330172

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one (CID 107331628) is 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one is CC(CN)C(=O)c1ccnn1-c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The InChIKey is KKHMZBBFHWSXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(9-14)13(17)12-7-8-15-16(12)11-5-3-2-4-6-11/h2-8,10H,9,14H2,1H3.
What are the key properties of 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one has a molecular weight of 229.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 107331628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).