1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine

C7H12BrN3 — CID 7017502

IUPAC1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1cc(Br)c(CNC)n1
InChIInChI=1S/C7H12BrN3/c1-3-11-5-6(8)7(10-11)4-9-2/h5,9H,3-4H2,1-2H3
InChIKeyJGUKUOFGLKQDCE-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.38
Rot. Bonds3

About 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine

1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 7017502) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID7017502
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1cc(Br)c(CNC)n1
InChIInChI=1S/C7H12BrN3/c1-3-11-5-6(8)7(10-11)4-9-2/h5,9H,3-4H2,1-2H3
InChIKeyJGUKUOFGLKQDCE-UHFFFAOYSA-N
XLogP1.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1,3-dimethyl-1H-pyrazole
CID 12615416
4-Bromo-1,5-dimethyl-1H-pyrazole
CID 12615417
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2794651
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 4773286
4-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 4105398
(4-bromo-1-methyl-1H-pyrazol-3-yl)methanamine
CID 19620698
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
1-Methyl-5-[(methylamino)methyl]pyrazole
CID 7019426

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine (CID 7017502) is 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1cc(Br)c(CNC)n1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is JGUKUOFGLKQDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-3-11-5-6(8)7(10-11)4-9-2/h5,9H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine?
1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 218.10 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 7017502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).