4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride

C4H7BrClN3 — CID 44630904

IUPAC4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCc1[nH]nc(N)c1Br.Cl
InChIInChI=1S/C4H6BrN3.ClH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H
InChIKeyWEGKBZUHENVOHX-UHFFFAOYSA-N
MW212.48 g/mol
LogP1.48
Rot. Bonds

About 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride

4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 44630904) has the molecular formula C4H7BrClN3 and a molecular weight of 212.48 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride
PubChem CID44630904
Molecular FormulaC4H7BrClN3
Molecular Weight212.48 g/mol
Exact Mass210.95
IUPAC Name4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCc1[nH]nc(N)c1Br.Cl
InChIInChI=1S/C4H6BrN3.ClH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H
InChIKeyWEGKBZUHENVOHX-UHFFFAOYSA-N
XLogP1.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.48
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride (CID 44630904) is 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride is Cc1[nH]nc(N)c1Br.Cl.
What is the InChIKey of 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is WEGKBZUHENVOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3.ClH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H.
What are the key properties of 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride?
4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 212.48 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 44630904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).