1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine

C7H12BrN3 — CID 83887921

IUPAC1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine
SMILESCC(N)Cc1nn(C)cc1Br
InChIInChI=1S/C7H12BrN3/c1-5(9)3-7-6(8)4-11(2)10-7/h4-5H,3,9H2,1-2H3
InChIKeyBLIAWCACWQENHZ-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.07
Rot. Bonds2

About 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine

1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 83887921) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine
PubChem CID83887921
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine
SMILESCC(N)Cc1nn(C)cc1Br
InChIInChI=1S/C7H12BrN3/c1-5(9)3-7-6(8)4-11(2)10-7/h4-5H,3,9H2,1-2H3
InChIKeyBLIAWCACWQENHZ-UHFFFAOYSA-N
XLogP1.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine
CID 105424010
(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 91758961
4-bromo-3-(bromomethyl)-1-methylpyrazole
CID 67979675
2-(4-bromo-1-methylpyrazol-3-yl)ethanol
CID 84672844
1-(4-cyclobutyl-1-methylpyrazol-3-yl)propan-2-amine
CID 105422888
(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 40599781
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperazine
CID 166449739
4-bromo-3-(bromomethyl)-1-methylpyrazole;4-bromo-1-methyl-3-propylpyrazole
CID 159048290
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
CID 131212413
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
CID 112669727
(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol
CID 124672470

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine (CID 83887921) is 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine is CC(N)Cc1nn(C)cc1Br.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is BLIAWCACWQENHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-5(9)3-7-6(8)4-11(2)10-7/h4-5H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine?
1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 218.10 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 83887921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).