2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine

C14H18BrN3 — CID 62829496

IUPAC2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)Cc2ccccc2Br)cn1
InChIInChI=1S/C14H18BrN3/c1-2-7-18-10-12(9-17-18)14(16)8-11-5-3-4-6-13(11)15/h3-6,9-10,14H,2,7-8,16H2,1H3
InChIKeyXNNUJDGXPTXFLD-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine

2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 62829496) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID62829496
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)Cc2ccccc2Br)cn1
InChIInChI=1S/C14H18BrN3/c1-2-7-18-10-12(9-17-18)14(16)8-11-5-3-4-6-13(11)15/h3-6,9-10,14H,2,7-8,16H2,1H3
InChIKeyXNNUJDGXPTXFLD-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110447
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62798450
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine (CID 62829496) is 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)Cc2ccccc2Br)cn1.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is XNNUJDGXPTXFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-7-18-10-12(9-17-18)14(16)8-11-5-3-4-6-13(11)15/h3-6,9-10,14H,2,7-8,16H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine?
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62829496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).