4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

C13H16BrN3 — CID 81291827

IUPAC4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCCc1cc(Br)ccc1NC(C)c1ccn[nH]1
InChIInChI=1S/C13H16BrN3/c1-3-10-8-11(14)4-5-13(10)16-9(2)12-6-7-15-17-12/h4-9,16H,3H2,1-2H3,(H,15,17)
InChIKeyYHGYIKFHNFATAP-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.91
Rot. Bonds4

About 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 81291827) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
PubChem CID81291827
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCCc1cc(Br)ccc1NC(C)c1ccn[nH]1
InChIInChI=1S/C13H16BrN3/c1-3-10-8-11(14)4-5-13(10)16-9(2)12-6-7-15-17-12/h4-9,16H,3H2,1-2H3,(H,15,17)
InChIKeyYHGYIKFHNFATAP-UHFFFAOYSA-N
XLogP3.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54968251
4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
CID 81292604
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline
CID 81291618
3-(4-bromo-2-ethylanilino)butan-2-ol
CID 81292425
4-bromo-2-ethyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 81287065
4-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-ethylaniline
CID 81287491
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
methyl 2-(4-bromo-2-ethylanilino)propanoate
CID 81291826
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (CID 81291827) is 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is CCc1cc(Br)ccc1NC(C)c1ccn[nH]1.
What is the InChIKey of 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is YHGYIKFHNFATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-3-10-8-11(14)4-5-13(10)16-9(2)12-6-7-15-17-12/h4-9,16H,3H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline has a molecular weight of 294.20 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 81291827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).