5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one

C12H15N3O — CID 83887702

IUPAC5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one
SMILESCC(N)Cc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C12H15N3O/c1-9(13)7-10-8-12(16)15(14-10)11-5-3-2-4-6-11/h2-6,8-9,14H,7,13H2,1H3
InChIKeyNNXVQVCOBBDXCP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.06
Rot. Bonds3

About 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one

5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 83887702) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID83887702
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one
SMILESCC(N)Cc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C12H15N3O/c1-9(13)7-10-8-12(16)15(14-10)11-5-3-2-4-6-11/h2-6,8-9,14H,7,13H2,1H3
InChIKeyNNXVQVCOBBDXCP-UHFFFAOYSA-N
XLogP1.06
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methyl-2-oxobutyl)-2-phenyl-1H-pyrazol-3-one
CID 70931304
5-(benzenesulfonylmethyl)-2-phenyl-1H-pyrazol-3-one
CID 25250200
5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
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5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
5-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-phenyl-1H-pyrazol-3-one
CID 57221591
2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one
CID 16584430
5-fluoro-2-phenyl-1H-pyrazol-3-one
CID 155895443
5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one
CID 57248062
5-methoxy-2-phenyl-1H-pyrazol-3-one
CID 126736456
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 83887554

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one (CID 83887702) is 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one is CC(N)Cc1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is NNXVQVCOBBDXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(13)7-10-8-12(16)15(14-10)11-5-3-2-4-6-11/h2-6,8-9,14H,7,13H2,1H3.
What are the key properties of 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one?
5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 83887702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).