3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline

C13H15ClFN3 — CID 103894043

IUPAC3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
SMILESCCc1nn(C)cc1CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-3-13-9(8-18(2)17-13)7-16-12-5-10(14)4-11(15)6-12/h4-6,8,16H,3,7H2,1-2H3
InChIKeyOUWLUVJLBYQJRY-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.39
Rot. Bonds4

About 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline

3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline (PubChem CID 103894043) has the molecular formula C13H15ClFN3 and a molecular weight of 267.73 g/mol. Its IUPAC name is 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
PubChem CID103894043
Molecular FormulaC13H15ClFN3
Molecular Weight267.73 g/mol
Exact Mass267.09
IUPAC Name3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
SMILESCCc1nn(C)cc1CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-3-13-9(8-18(2)17-13)7-16-12-5-10(14)4-11(15)6-12/h4-6,8,16H,3,7H2,1-2H3
InChIKeyOUWLUVJLBYQJRY-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 115989727
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 112668229
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107364765
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-4-nitroaniline
CID 115989797

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline (CID 103894043) is 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline is CCc1nn(C)cc1CNc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline?
The InChIKey is OUWLUVJLBYQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-3-13-9(8-18(2)17-13)7-16-12-5-10(14)4-11(15)6-12/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline?
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline has a molecular weight of 267.73 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline is sourced from PubChem (CID 103894043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).