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

C5H8BrN3 — CID 178200152

IUPAC5-bromo-1,4-dimethylpyrazol-3-amine
SMILESCc1c(N)nn(C)c1Br
InChIInChI=1S/C5H8BrN3/c1-3-4(6)9(2)8-5(3)7/h1-2H3,(H2,7,8)
InChIKeyPQKHNBCGFWKJJT-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.07
Rot. Bonds

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

5-bromo-1,4-dimethylpyrazol-3-amine (PubChem CID 178200152) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 5-bromo-1,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-bromo-1,4-dimethylpyrazol-3-amine
PubChem CID178200152
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name5-bromo-1,4-dimethylpyrazol-3-amine
SMILESCc1c(N)nn(C)c1Br
InChIInChI=1S/C5H8BrN3/c1-3-4(6)9(2)8-5(3)7/h1-2H3,(H2,7,8)
InChIKeyPQKHNBCGFWKJJT-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

5-Bromo-1-methyl-1H-pyrazol-3-amine
CID 13248992
3-Bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine
CID 171093624
4-Bromo-5-fluoro-1-methylpyrazol-3-amine
CID 171315938
1,4-Dimethylpyrazole-3,5-diamine
CID 66624241
1,4-Dimethylpyrazole-3,5-diamine;hydrochloride
CID 66844059
5-Amino-3-bromo-1-methyl-1H-pyrazole-4-carbonitrile
CID 71742322
5-Amino-3-bromo-1-isopropyl-1H-pyrazole-4-carbonitrile
CID 71742324
3-Bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile
CID 118024601
5-Amino-3-bromo-1-ethyl-1H-pyrazole-4-carbonitrile
CID 118025200
5-Iodo-1,4-dimethyl-1H-pyrazol-3-amine
CID 135342785
5-Bromo-1-propyl-1H-pyrazol-3-amine
CID 146680327
3-Bromo-1-cyclopentyl-4-methylpyrazol-5-amine
CID 156085238

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,4-dimethylpyrazol-3-amine?
The IUPAC name of 5-bromo-1,4-dimethylpyrazol-3-amine (CID 178200152) is 5-bromo-1,4-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-bromo-1,4-dimethylpyrazol-3-amine?
The canonical SMILES for 5-bromo-1,4-dimethylpyrazol-3-amine is Cc1c(N)nn(C)c1Br.
What is the InChIKey of 5-bromo-1,4-dimethylpyrazol-3-amine?
The InChIKey is PQKHNBCGFWKJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-3-4(6)9(2)8-5(3)7/h1-2H3,(H2,7,8).
What are the key properties of 5-bromo-1,4-dimethylpyrazol-3-amine?
5-bromo-1,4-dimethylpyrazol-3-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 5-bromo-1,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 178200152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).