4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one

C15H21N3O — CID 61271001

IUPAC4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C15H21N3O/c1-4-9-17-13(5-2)14(16)15(19)18(17)12-8-6-7-11(3)10-12/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyIKVDOLZEGVZWPT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds4

About 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one

4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one (PubChem CID 61271001) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one
PubChem CID61271001
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C15H21N3O/c1-4-9-17-13(5-2)14(16)15(19)18(17)12-8-6-7-11(3)10-12/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyIKVDOLZEGVZWPT-UHFFFAOYSA-N
XLogP2.50
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one (CID 61271001) is 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one is CCCn1c(CC)c(N)c(=O)n1-c1cccc(C)c1.
What is the InChIKey of 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one?
The InChIKey is IKVDOLZEGVZWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-9-17-13(5-2)14(16)15(19)18(17)12-8-6-7-11(3)10-12/h6-8,10H,4-5,9,16H2,1-3H3.
What are the key properties of 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one?
4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one has a molecular weight of 259.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one is sourced from PubChem (CID 61271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).