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

C6H10BrN3O — CID 83910403

IUPAC4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
SMILESCOCc1nn(C)c(N)c1Br
InChIInChI=1S/C6H10BrN3O/c1-10-6(8)5(7)4(9-10)3-11-2/h3,8H2,1-2H3
InChIKeyGNXQBZRZVYGWQK-UHFFFAOYSA-N
MW220.07 g/mol
LogP0.91
Rot. Bonds2

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

4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine (PubChem CID 83910403) has the molecular formula C6H10BrN3O and a molecular weight of 220.07 g/mol. Its IUPAC name is 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
PubChem CID83910403
Molecular FormulaC6H10BrN3O
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
SMILESCOCc1nn(C)c(N)c1Br
InChIInChI=1S/C6H10BrN3O/c1-10-6(8)5(7)4(9-10)3-11-2/h3,8H2,1-2H3
InChIKeyGNXQBZRZVYGWQK-UHFFFAOYSA-N
XLogP0.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 66299373
4-bromo-3-N,1-dimethylpyrazole-3,5-diamine
CID 83867118
3-(methoxymethyl)-1,7-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
CID 169184809
2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine
CID 177061594
(4-bromo-5-methoxy-1-methylpyrazol-3-yl)methyl methanesulfonate
CID 146470168
4-(methoxymethyl)-1-methylpyrazol-5-amine
CID 84648635
5-bromo-3-(methoxymethyl)-1-methylpyrazole
CID 105456952
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine
CID 177061670
3-(methoxymethyl)-1-methyl-4-nitropyrazole-5-carbonitrile
CID 21250696
3-bromo-5-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid
CID 83912980
N-[(2S)-2-[4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 177367547

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine (CID 83910403) is 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine is COCc1nn(C)c(N)c1Br.
What is the InChIKey of 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine?
The InChIKey is GNXQBZRZVYGWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3O/c1-10-6(8)5(7)4(9-10)3-11-2/h3,8H2,1-2H3.
What are the key properties of 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine?
4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine has a molecular weight of 220.07 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 83910403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).