1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine

C13H15BrClN3 — CID 114646510

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
SMILESCCn1ncc(Br)c1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C13H15BrClN3/c1-2-18-13(11(14)8-17-18)12(16)7-9-4-3-5-10(15)6-9/h3-6,8,12H,2,7,16H2,1H3
InChIKeyVVGXZOMGDMQSQV-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine (PubChem CID 114646510) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
PubChem CID114646510
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
SMILESCCn1ncc(Br)c1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C13H15BrClN3/c1-2-18-13(11(14)8-17-18)12(16)7-9-4-3-5-10(15)6-9/h3-6,8,12H,2,7,16H2,1H3
InChIKeyVVGXZOMGDMQSQV-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine
CID 114646518
2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanamine
CID 114648281
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine (CID 114646510) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine is CCn1ncc(Br)c1C(N)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine?
The InChIKey is VVGXZOMGDMQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-2-18-13(11(14)8-17-18)12(16)7-9-4-3-5-10(15)6-9/h3-6,8,12H,2,7,16H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine has a molecular weight of 328.64 g/mol, XLogP of 3.56, 4 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-5-yl)-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 114646510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).