1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one

C15H19N3O — CID 123725902

IUPAC1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one
SMILESCn1cc(C(=O)CCCCc2ccccc2)c(N)n1
InChIInChI=1S/C15H19N3O/c1-18-11-13(15(16)17-18)14(19)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,16,17)
InChIKeyFXHKCSBHDHFLGU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.60
Rot. Bonds6

About 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one

1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one (PubChem CID 123725902) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one
PubChem CID123725902
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one
SMILESCn1cc(C(=O)CCCCc2ccccc2)c(N)n1
InChIInChI=1S/C15H19N3O/c1-18-11-13(15(16)17-18)14(19)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,16,17)
InChIKeyFXHKCSBHDHFLGU-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
1-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-7-phenylheptan-1-one
CID 24948917
1,9-diphenylnonan-5-one
CID 23467830
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
15-phenylpentadecanoic acid
CID 2737151
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-5-phenylpentan-1-one
CID 11359833
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
5-methyl-1-(4-phenylbutyl)triazol-4-amine
CID 114335029
1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898
2-methyl-7-phenylheptan-3-one
CID 13129845
2-methylidene-12-phenyldodecanoic acid
CID 54253232

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one?
The IUPAC name of 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one (CID 123725902) is 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one.
What is the SMILES notation for 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one?
The canonical SMILES for 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one is Cn1cc(C(=O)CCCCc2ccccc2)c(N)n1.
What is the InChIKey of 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one?
The InChIKey is FXHKCSBHDHFLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-11-13(15(16)17-18)14(19)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,16,17).
What are the key properties of 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one?
1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one is sourced from PubChem (CID 123725902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).