1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine

C14H18BrN3 — CID 112678321

IUPAC1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C14H18BrN3/c1-3-13(16-4-2)12-7-5-6-8-14(12)18-10-11(15)9-17-18/h5-10,13,16H,3-4H2,1-2H3
InChIKeyVQPBZGNFZQPLSB-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.70
Rot. Bonds5

About 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine

1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine (PubChem CID 112678321) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
PubChem CID112678321
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C14H18BrN3/c1-3-13(16-4-2)12-7-5-6-8-14(12)18-10-11(15)9-17-18/h5-10,13,16H,3-4H2,1-2H3
InChIKeyVQPBZGNFZQPLSB-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 112678315
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
CID 115995433
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995440
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[2-(4-bromopyrazol-1-yl)phenyl]ethanone
CID 61035945
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine (CID 112678321) is 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1-n1cc(Br)cn1.
What is the InChIKey of 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is VQPBZGNFZQPLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-13(16-4-2)12-7-5-6-8-14(12)18-10-11(15)9-17-18/h5-10,13,16H,3-4H2,1-2H3.
What are the key properties of 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine?
1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 112678321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).