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

C7H11BrN6 — CID 159722971

IUPAC5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(N)n[nH]1.Nc1cc(Br)[nH]n1
InChIInChI=1S/C4H7N3.C3H4BrN3/c1-3-2-4(5)7-6-3;4-2-1-3(5)7-6-2/h2H,1H3,(H3,5,6,7);1H,(H3,5,6,7)
InChIKeyNAGRJDKAGAAFNU-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.05
Rot. Bonds

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

5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine (PubChem CID 159722971) has the molecular formula C7H11BrN6 and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine
PubChem CID159722971
Molecular FormulaC7H11BrN6
Molecular Weight259.11 g/mol
Exact Mass258.02
IUPAC Name5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(N)n[nH]1.Nc1cc(Br)[nH]n1
InChIInChI=1S/C4H7N3.C3H4BrN3/c1-3-2-4(5)7-6-3;4-2-1-3(5)7-6-2/h2H,1H3,(H3,5,6,7);1H,(H3,5,6,7)
InChIKeyNAGRJDKAGAAFNU-UHFFFAOYSA-N
XLogP1.05
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
CID 116856607
3,5-dibromo-1H-pyrazole;ethane
CID 156727917
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
CID 117215911
5-[(2,4,6-trimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082176
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
5-(3,3-difluorobutyl)-1H-pyrazol-3-amine
CID 129066328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine (CID 159722971) is 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine is Cc1cc(N)n[nH]1.Nc1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine?
The InChIKey is NAGRJDKAGAAFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C3H4BrN3/c1-3-2-4(5)7-6-3;4-2-1-3(5)7-6-2/h2H,1H3,(H3,5,6,7);1H,(H3,5,6,7).
What are the key properties of 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine?
5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine has a molecular weight of 259.11 g/mol, XLogP of 1.05, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 159722971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).