5-bromo-1-methylpyrazol-3-amine

C4H6BrN3 — CID 13248992

IUPAC5-bromo-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1Br
InChIInChI=1S/C4H6BrN3/c1-8-3(5)2-4(6)7-8/h2H,1H3,(H2,6,7)
InChIKeyUJJBZKBDWUAWKA-UHFFFAOYSA-N
MW176.02 g/mol
LogP0.76
Rot. Bonds

About 5-bromo-1-methylpyrazol-3-amine

5-bromo-1-methylpyrazol-3-amine (PubChem CID 13248992) has the molecular formula C4H6BrN3 and a molecular weight of 176.02 g/mol. Its IUPAC name is 5-bromo-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-methylpyrazol-3-amine
PubChem CID13248992
Molecular FormulaC4H6BrN3
Molecular Weight176.02 g/mol
Exact Mass174.97
IUPAC Name5-bromo-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1Br
InChIInChI=1S/C4H6BrN3/c1-8-3(5)2-4(6)7-8/h2H,1H3,(H2,6,7)
InChIKeyUJJBZKBDWUAWKA-UHFFFAOYSA-N
XLogP0.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-methyl-1H-pyrazol-5-amine
CID 56965752
3,5-dibromo-1-methyl-1H-pyrazole
CID 66614131
5-bromo-1-methyl-1H-pyrazol-3-amine hydrobromide
CID 138040503
5-Fluoro-1-methyl-1H-pyrazol-3-amine hydrochloride
CID 145913129
5-bromo-1,4-dimethyl-1H-pyrazol-3-amine
CID 178200152
1-Methyl-1H-pyrazole-3,5-diamine
CID 53302141
5-Fluoro-1-methyl-1H-pyrazol-3-amine
CID 130658396
3-Fluoro-1-methylpyrazol-5-amine
CID 154561990
3-Bromo-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
CID 172219090
3-Bromo-1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-amine
CID 154881708
3-Bromo-1-(2,2-difluoroethyl)-1h-pyrazol-5-amine
CID 154881709
5-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 154881718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrazol-3-amine?
The IUPAC name of 5-bromo-1-methylpyrazol-3-amine (CID 13248992) is 5-bromo-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-bromo-1-methylpyrazol-3-amine?
The canonical SMILES for 5-bromo-1-methylpyrazol-3-amine is Cn1nc(N)cc1Br.
What is the InChIKey of 5-bromo-1-methylpyrazol-3-amine?
The InChIKey is UJJBZKBDWUAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3/c1-8-3(5)2-4(6)7-8/h2H,1H3,(H2,6,7).
What are the key properties of 5-bromo-1-methylpyrazol-3-amine?
5-bromo-1-methylpyrazol-3-amine has a molecular weight of 176.02 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyrazol-3-amine is sourced from PubChem (CID 13248992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).