(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine

C13H16BrN3 — CID 114024187

IUPAC(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2cccc(C)c2Br)cn1
InChIInChI=1S/C13H16BrN3/c1-3-17-8-10(7-16-17)13(15)11-6-4-5-9(2)12(11)14/h4-8,13H,3,15H2,1-2H3
InChIKeySGJZUJDYIGAZIA-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.02
Rot. Bonds3

About (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine

(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine (PubChem CID 114024187) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
PubChem CID114024187
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2cccc(C)c2Br)cn1
InChIInChI=1S/C13H16BrN3/c1-3-17-8-10(7-16-17)13(15)11-6-4-5-9(2)12(11)14/h4-8,13H,3,15H2,1-2H3
InChIKeySGJZUJDYIGAZIA-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
[(2,3-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289722
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
(1-ethylpyrazol-4-yl)-quinolin-8-ylmethanamine
CID 105109051
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115808803
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 107981821

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine (CID 114024187) is (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine is CCn1cc(C(N)c2cccc(C)c2Br)cn1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine?
The InChIKey is SGJZUJDYIGAZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-3-17-8-10(7-16-17)13(15)11-6-4-5-9(2)12(11)14/h4-8,13H,3,15H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine?
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 294.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 114024187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).