4-bromo-1H-pyrazole;methanamine

C6H18BrN5 — CID 174368841

IUPAC4-bromo-1H-pyrazole;methanamine
SMILESBrc1cn[nH]c1.CN.CN.CN
InChIInChI=1S/C3H3BrN2.3CH5N/c4-3-1-5-6-2-3;3*1-2/h1-2H,(H,5,6);3*2H2,1H3
InChIKeyGMRSZTRGVTVVMO-UHFFFAOYSA-N
MW240.15 g/mol
LogP-0.10
Rot. Bonds

About 4-bromo-1H-pyrazole;methanamine

4-bromo-1H-pyrazole;methanamine (PubChem CID 174368841) has the molecular formula C6H18BrN5 and a molecular weight of 240.15 g/mol. Its IUPAC name is 4-bromo-1H-pyrazole;methanamine.

Molecular Properties

Compound Name4-bromo-1H-pyrazole;methanamine
PubChem CID174368841
Molecular FormulaC6H18BrN5
Molecular Weight240.15 g/mol
Exact Mass239.07
IUPAC Name4-bromo-1H-pyrazole;methanamine
SMILESBrc1cn[nH]c1.CN.CN.CN
InChIInChI=1S/C3H3BrN2.3CH5N/c4-3-1-5-6-2-3;3*1-2/h1-2H,(H,5,6);3*2H2,1H3
InChIKeyGMRSZTRGVTVVMO-UHFFFAOYSA-N
XLogP-0.10
TPSA106.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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methanamine;4-phenyl-1H-pyrazole
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(4-bromophenyl)-(1H-pyrazol-4-yl)methanone
CID 69200129
1H-pyrazole-4-selenol
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazole;methanamine?
The IUPAC name of 4-bromo-1H-pyrazole;methanamine (CID 174368841) is 4-bromo-1H-pyrazole;methanamine.
What is the SMILES notation for 4-bromo-1H-pyrazole;methanamine?
The canonical SMILES for 4-bromo-1H-pyrazole;methanamine is Brc1cn[nH]c1.CN.CN.CN.
What is the InChIKey of 4-bromo-1H-pyrazole;methanamine?
The InChIKey is GMRSZTRGVTVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2.3CH5N/c4-3-1-5-6-2-3;3*1-2/h1-2H,(H,5,6);3*2H2,1H3.
What are the key properties of 4-bromo-1H-pyrazole;methanamine?
4-bromo-1H-pyrazole;methanamine has a molecular weight of 240.15 g/mol, XLogP of -0.10, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazole;methanamine is sourced from PubChem (CID 174368841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).