1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine

C6H10BrN3 — CID 83881739

IUPAC1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine
SMILESCNCc1[nH]nc(Br)c1C
InChIInChI=1S/C6H10BrN3/c1-4-5(3-8-2)9-10-6(4)7/h8H,3H2,1-2H3,(H,9,10)
InChIKeyVHBHKFIQEKANAO-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.20
Rot. Bonds2

About 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine

1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine (PubChem CID 83881739) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine
PubChem CID83881739
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine
SMILESCNCc1[nH]nc(Br)c1C
InChIInChI=1S/C6H10BrN3/c1-4-5(3-8-2)9-10-6(4)7/h8H,3H2,1-2H3,(H,9,10)
InChIKeyVHBHKFIQEKANAO-UHFFFAOYSA-N
XLogP1.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine (CID 83881739) is 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine is CNCc1[nH]nc(Br)c1C.
What is the InChIKey of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine?
The InChIKey is VHBHKFIQEKANAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-4-5(3-8-2)9-10-6(4)7/h8H,3H2,1-2H3,(H,9,10).
What are the key properties of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine?
1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine has a molecular weight of 204.07 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83881739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).