4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one

C15H20FN3O2 — CID 63278681

IUPAC4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C15H20FN3O2/c1-3-7-18-13(10-21-2)14(17)15(20)19(18)9-11-5-4-6-12(16)8-11/h4-6,8H,3,7,9-10,17H2,1-2H3
InChIKeyJQLNPXAYWRPQFC-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.98
Rot. Bonds6

About 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one

4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one (PubChem CID 63278681) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one
PubChem CID63278681
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C15H20FN3O2/c1-3-7-18-13(10-21-2)14(17)15(20)19(18)9-11-5-4-6-12(16)8-11/h4-6,8H,3,7,9-10,17H2,1-2H3
InChIKeyJQLNPXAYWRPQFC-UHFFFAOYSA-N
XLogP1.98
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one (CID 63278681) is 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one is CCCn1c(COC)c(N)c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one?
The InChIKey is JQLNPXAYWRPQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-7-18-13(10-21-2)14(17)15(20)19(18)9-11-5-4-6-12(16)8-11/h4-6,8H,3,7,9-10,17H2,1-2H3.
What are the key properties of 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one?
4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one has a molecular weight of 293.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-1-propylpyrazol-3-one is sourced from PubChem (CID 63278681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).