4-bromo-1-(2-methoxyethyl)pyrazol-3-amine

C6H10BrN3O — CID 61175231

IUPAC4-bromo-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCOCCn1cc(Br)c(N)n1
InChIInChI=1S/C6H10BrN3O/c1-11-3-2-10-4-5(7)6(8)9-10/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyGRNJFCYDTMMZNS-UHFFFAOYSA-N
MW220.07 g/mol
LogP0.87
Rot. Bonds3

About 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine

4-bromo-1-(2-methoxyethyl)pyrazol-3-amine (PubChem CID 61175231) has the molecular formula C6H10BrN3O and a molecular weight of 220.07 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)pyrazol-3-amine
PubChem CID61175231
Molecular FormulaC6H10BrN3O
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name4-bromo-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCOCCn1cc(Br)c(N)n1
InChIInChI=1S/C6H10BrN3O/c1-11-3-2-10-4-5(7)6(8)9-10/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyGRNJFCYDTMMZNS-UHFFFAOYSA-N
XLogP0.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine (CID 61175231) is 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine is COCCn1cc(Br)c(N)n1.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine?
The InChIKey is GRNJFCYDTMMZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3O/c1-11-3-2-10-4-5(7)6(8)9-10/h4H,2-3H2,1H3,(H2,8,9).
What are the key properties of 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine?
4-bromo-1-(2-methoxyethyl)pyrazol-3-amine has a molecular weight of 220.07 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)pyrazol-3-amine is sourced from PubChem (CID 61175231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).