(3-bromo-1H-pyrazol-5-yl)methanamine

C4H6BrN3 — CID 83851863

IUPAC(3-bromo-1H-pyrazol-5-yl)methanamine
SMILESNCc1cc(Br)n[nH]1
InChIInChI=1S/C4H6BrN3/c5-4-1-3(2-6)7-8-4/h1H,2,6H2,(H,7,8)
InChIKeyAFPDDJAZRDQARD-UHFFFAOYSA-N
MW176.02 g/mol
LogP0.63
Rot. Bonds1

About (3-bromo-1H-pyrazol-5-yl)methanamine

(3-bromo-1H-pyrazol-5-yl)methanamine (PubChem CID 83851863) has the molecular formula C4H6BrN3 and a molecular weight of 176.02 g/mol. Its IUPAC name is (3-bromo-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-1H-pyrazol-5-yl)methanamine
PubChem CID83851863
Molecular FormulaC4H6BrN3
Molecular Weight176.02 g/mol
Exact Mass174.97
IUPAC Name(3-bromo-1H-pyrazol-5-yl)methanamine
SMILESNCc1cc(Br)n[nH]1
InChIInChI=1S/C4H6BrN3/c5-4-1-3(2-6)7-8-4/h1H,2,6H2,(H,7,8)
InChIKeyAFPDDJAZRDQARD-UHFFFAOYSA-N
XLogP0.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-1H-pyrazole
CID 1201423
3-Bromo-5-(trifluoromethyl)-1H-pyrazole
CID 68746581
5-bromo-1H-pyrazole-3-carbonitrile
CID 91372286
5-bromo-3-(chloromethyl)-1H-pyrazole
CID 168254690
3-Bromo-5-(difluoromethyl)-1H-pyrazole
CID 161115975
(5-fluoro-1H-pyrazol-3-yl)methanamine
CID 135396881
2-(3-bromo-1H-pyrazol-5-yl)ethanamine
CID 83851980
1-(3-bromo-1H-pyrazol-5-yl)ethanamine
CID 84719458
5-(azidomethyl)-3-bromo-1H-pyrazole
CID 150260630
5-bromo-3-ethenyl-1H-pyrazole
CID 169791201
3-bromo-5-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 170730866
(3-Bromo-1-iodophosphanylpyrazol-5-yl)methanamine
CID 172244957

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1H-pyrazol-5-yl)methanamine?
The IUPAC name of (3-bromo-1H-pyrazol-5-yl)methanamine (CID 83851863) is (3-bromo-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (3-bromo-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (3-bromo-1H-pyrazol-5-yl)methanamine is NCc1cc(Br)n[nH]1.
What is the InChIKey of (3-bromo-1H-pyrazol-5-yl)methanamine?
The InChIKey is AFPDDJAZRDQARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3/c5-4-1-3(2-6)7-8-4/h1H,2,6H2,(H,7,8).
What are the key properties of (3-bromo-1H-pyrazol-5-yl)methanamine?
(3-bromo-1H-pyrazol-5-yl)methanamine has a molecular weight of 176.02 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 83851863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).