4-bromo-1,3-dimethylpyrazol-5-amine

C5H8BrN3 — CID 605717

IUPAC4-bromo-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1Br
InChIInChI=1S/C5H8BrN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3
InChIKeyXZVCZZLJWIYRMT-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.07
Rot. Bonds

About 4-bromo-1,3-dimethylpyrazol-5-amine

4-bromo-1,3-dimethylpyrazol-5-amine (PubChem CID 605717) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-bromo-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1,3-dimethylpyrazol-5-amine
PubChem CID605717
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name4-bromo-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1Br
InChIInChI=1S/C5H8BrN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3
InChIKeyXZVCZZLJWIYRMT-UHFFFAOYSA-N
XLogP1.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1,5-dimethyl-1H-pyrazol-3-amine
CID 19619860
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
4-bromo-1-tert-butyl-3-methyl-1H-pyrazol-5-amine
CID 61732723
3-(difluoromethyl)-4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 149745032
2-(5-amino-4-bromo-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 61733536
3-bromo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136328646
4-Bromo-1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 19619861
4-Bromo-2-methyl-5-trifluoromethyl-2H-pyrazol-3-ylamine
CID 56604764
4-Bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 83825100
4-Fluoro-1,3-dimethyl-1H-pyrazol-5-amine
CID 86126002
4-bromo-N-iodo-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 163420683
4-Bromo-1-(2-fluoroethyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 176384998

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-bromo-1,3-dimethylpyrazol-5-amine (CID 605717) is 4-bromo-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1Br.
What is the InChIKey of 4-bromo-1,3-dimethylpyrazol-5-amine?
The InChIKey is XZVCZZLJWIYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3.
What are the key properties of 4-bromo-1,3-dimethylpyrazol-5-amine?
4-bromo-1,3-dimethylpyrazol-5-amine has a molecular weight of 190.04 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 605717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).