4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine

C9H14BrN3O — CID 106821651

IUPAC4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine
SMILESCOC1CC(n2nc(C)c(Br)c2N)C1
InChIInChI=1S/C9H14BrN3O/c1-5-8(10)9(11)13(12-5)6-3-7(4-6)14-2/h6-7H,3-4,11H2,1-2H3
InChIKeySIIVFWNSNOBEFP-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.89
Rot. Bonds2

About 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine

4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine (PubChem CID 106821651) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine
PubChem CID106821651
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine
SMILESCOC1CC(n2nc(C)c(Br)c2N)C1
InChIInChI=1S/C9H14BrN3O/c1-5-8(10)9(11)13(12-5)6-3-7(4-6)14-2/h6-7H,3-4,11H2,1-2H3
InChIKeySIIVFWNSNOBEFP-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine (CID 106821651) is 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine is COC1CC(n2nc(C)c(Br)c2N)C1.
What is the InChIKey of 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine?
The InChIKey is SIIVFWNSNOBEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-5-8(10)9(11)13(12-5)6-3-7(4-6)14-2/h6-7H,3-4,11H2,1-2H3.
What are the key properties of 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine?
4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine has a molecular weight of 260.13 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-methoxycyclobutyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 106821651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).