4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one

C15H20BrN3O — CID 61273162

IUPAC4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one
SMILESCCCc1c(N)c(=O)n(-c2ccccc2Br)n1CCC
InChIInChI=1S/C15H20BrN3O/c1-3-7-13-14(17)15(20)19(18(13)10-4-2)12-9-6-5-8-11(12)16/h5-6,8-9H,3-4,7,10,17H2,1-2H3
InChIKeyLKDQNSLUBPKMME-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.35
Rot. Bonds5

About 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one

4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one (PubChem CID 61273162) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one
PubChem CID61273162
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one
SMILESCCCc1c(N)c(=O)n(-c2ccccc2Br)n1CCC
InChIInChI=1S/C15H20BrN3O/c1-3-7-13-14(17)15(20)19(18(13)10-4-2)12-9-6-5-8-11(12)16/h5-6,8-9H,3-4,7,10,17H2,1-2H3
InChIKeyLKDQNSLUBPKMME-UHFFFAOYSA-N
XLogP3.35
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one?
The IUPAC name of 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one (CID 61273162) is 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one is CCCc1c(N)c(=O)n(-c2ccccc2Br)n1CCC.
What is the InChIKey of 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one?
The InChIKey is LKDQNSLUBPKMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-7-13-14(17)15(20)19(18(13)10-4-2)12-9-6-5-8-11(12)16/h5-6,8-9H,3-4,7,10,17H2,1-2H3.
What are the key properties of 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one?
4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one has a molecular weight of 338.25 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one is sourced from PubChem (CID 61273162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).