(4-bromo-1-methylpyrazol-3-yl)methanamine

C5H8BrN3 — CID 19620698

IUPAC(4-bromo-1-methylpyrazol-3-yl)methanamine
SMILESCn1cc(Br)c(CN)n1
InChIInChI=1S/C5H8BrN3/c1-9-3-4(6)5(2-7)8-9/h3H,2,7H2,1H3
InChIKeyMQRWZRWVHPJPON-UHFFFAOYSA-N
MW190.04 g/mol
LogP0.64
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)methanamine

(4-bromo-1-methylpyrazol-3-yl)methanamine (PubChem CID 19620698) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)methanamine
PubChem CID19620698
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)methanamine
SMILESCn1cc(Br)c(CN)n1
InChIInChI=1S/C5H8BrN3/c1-9-3-4(6)5(2-7)8-9/h3H,2,7H2,1H3
InChIKeyMQRWZRWVHPJPON-UHFFFAOYSA-N
XLogP0.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)methanamine (CID 19620698) is (4-bromo-1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)methanamine is Cn1cc(Br)c(CN)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)methanamine?
The InChIKey is MQRWZRWVHPJPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-9-3-4(6)5(2-7)8-9/h3H,2,7H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)methanamine?
(4-bromo-1-methylpyrazol-3-yl)methanamine has a molecular weight of 190.04 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 19620698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).