N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine

C15H20BrN3O — CID 43728920

IUPACN-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCCC(Nc1cnn(CCOC)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c1-3-15(12-4-6-13(16)7-5-12)18-14-10-17-19(11-14)8-9-20-2/h4-7,10-11,15,18H,3,8-9H2,1-2H3
InChIKeyRHOXGYGYEUSRPJ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.86
Rot. Bonds7

About N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43728920) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43728920
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCCC(Nc1cnn(CCOC)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c1-3-15(12-4-6-13(16)7-5-12)18-14-10-17-19(11-14)8-9-20-2/h4-7,10-11,15,18H,3,8-9H2,1-2H3
InChIKeyRHOXGYGYEUSRPJ-UHFFFAOYSA-N
XLogP3.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43728920) is N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine is CCC(Nc1cnn(CCOC)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is RHOXGYGYEUSRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-15(12-4-6-13(16)7-5-12)18-14-10-17-19(11-14)8-9-20-2/h4-7,10-11,15,18H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 338.25 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43728920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).