5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine

C12H15BrN4O — CID 66018150

IUPAC5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2cncc(Br)c2)c1N
InChIInChI=1S/C12H15BrN4O/c1-3-4-10-11(14)12(17(2)16-10)18-9-5-8(13)6-15-7-9/h5-7H,3-4,14H2,1-2H3
InChIKeyFLUCSUCGHPCMJJ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.90
Rot. Bonds4

About 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine

5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66018150) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine
PubChem CID66018150
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2cncc(Br)c2)c1N
InChIInChI=1S/C12H15BrN4O/c1-3-4-10-11(14)12(17(2)16-10)18-9-5-8(13)6-15-7-9/h5-7H,3-4,14H2,1-2H3
InChIKeyFLUCSUCGHPCMJJ-UHFFFAOYSA-N
XLogP2.90
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine (CID 66018150) is 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(Oc2cncc(Br)c2)c1N.
What is the InChIKey of 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is FLUCSUCGHPCMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-3-4-10-11(14)12(17(2)16-10)18-9-5-8(13)6-15-7-9/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine?
5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 311.18 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-pyridinyl)oxy]-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).