(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine

C13H16BrN3 — CID 114646776

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cccc(C)c1
InChIInChI=1S/C13H16BrN3/c1-3-17-13(11(14)8-16-17)12(15)10-6-4-5-9(2)7-10/h4-8,12H,3,15H2,1-2H3
InChIKeyZLSMQAOVKLROLL-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.02
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine (PubChem CID 114646776) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
PubChem CID114646776
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cccc(C)c1
InChIInChI=1S/C13H16BrN3/c1-3-17-13(11(14)8-16-17)12(15)10-6-4-5-9(2)7-10/h4-8,12H,3,15H2,1-2H3
InChIKeyZLSMQAOVKLROLL-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-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105041234
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646291
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 114648950
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine (CID 114646776) is (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine is CCn1ncc(Br)c1C(N)c1cccc(C)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine?
The InChIKey is ZLSMQAOVKLROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-3-17-13(11(14)8-16-17)12(15)10-6-4-5-9(2)7-10/h4-8,12H,3,15H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)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 (4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 114646776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).