5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

C12H13ClFN3 — CID 103000865

IUPAC5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCn1nccc1CCNc1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFN3/c1-17-10(5-7-16-17)4-6-15-12-8-9(13)2-3-11(12)14/h2-3,5,7-8,15H,4,6H2,1H3
InChIKeyMMYMBYANUOGWKV-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.87
Rot. Bonds4

About 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 103000865) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID103000865
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCn1nccc1CCNc1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFN3/c1-17-10(5-7-16-17)4-6-15-12-8-9(13)2-3-11(12)14/h2-3,5,7-8,15H,4,6H2,1H3
InChIKeyMMYMBYANUOGWKV-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)aniline
CID 103000614
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 103007631
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695941
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (CID 103000865) is 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is Cn1nccc1CCNc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is MMYMBYANUOGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-17-10(5-7-16-17)4-6-15-12-8-9(13)2-3-11(12)14/h2-3,5,7-8,15H,4,6H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 253.71 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 103000865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).