N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine

C14H17BrFN3 — CID 103932643

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN3/c1-4-13-14(8-19(3)18-13)17-9(2)11-7-10(15)5-6-12(11)16/h5-9,17H,4H2,1-3H3
InChIKeyCJHPINFGZXGDGP-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.06
Rot. Bonds4

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 103932643) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID103932643
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN3/c1-4-13-14(8-19(3)18-13)17-9(2)11-7-10(15)5-6-12(11)16/h5-9,17H,4H2,1-3H3
InChIKeyCJHPINFGZXGDGP-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine 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

3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932487
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
1-(5-bromo-2-fluorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 112668618
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932506
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597
5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
CID 82963864
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-ethoxy-4-methylaniline
CID 82964942

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine (CID 103932643) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(C)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is CJHPINFGZXGDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-4-13-14(8-19(3)18-13)17-9(2)11-7-10(15)5-6-12(11)16/h5-9,17H,4H2,1-3H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 326.21 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103932643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).