5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one

C15H19N3O — CID 107331736

IUPAC5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one
SMILESCC(CCCN)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(6-5-10-16)15(19)14-9-11-17-18(14)13-7-3-2-4-8-13/h2-4,7-9,11-12H,5-6,10,16H2,1H3
InChIKeyYQGLBZDGCSXIJS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds6

About 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one

5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one (PubChem CID 107331736) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one
PubChem CID107331736
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one
SMILESCC(CCCN)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(6-5-10-16)15(19)14-9-11-17-18(14)13-7-3-2-4-8-13/h2-4,7-9,11-12H,5-6,10,16H2,1H3
InChIKeyYQGLBZDGCSXIJS-UHFFFAOYSA-N
XLogP2.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331594
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-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
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-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330168
(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330252
[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
CID 107330172

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one (CID 107331736) is 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one is CC(CCCN)C(=O)c1ccnn1-c1ccccc1.
What is the InChIKey of 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one?
The InChIKey is YQGLBZDGCSXIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(6-5-10-16)15(19)14-9-11-17-18(14)13-7-3-2-4-8-13/h2-4,7-9,11-12H,5-6,10,16H2,1H3.
What are the key properties of 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one?
5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 107331736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).