2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine

C12H13F2N3 — CID 65200827

IUPAC2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(C(N)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C12H13F2N3/c1-17-5-4-12(16-17)11(15)7-8-6-9(13)2-3-10(8)14/h2-6,11H,7,15H2,1H3
InChIKeyIDOMNTXMHTVAAP-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.94
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine

2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 65200827) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID65200827
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(C(N)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C12H13F2N3/c1-17-5-4-12(16-17)11(15)7-8-6-9(13)2-3-10(8)14/h2-6,11H,7,15H2,1H3
InChIKeyIDOMNTXMHTVAAP-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
2-(2-chloro-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 112653778
2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200453
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
2-(5-bromo-2-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200515
2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63988739
2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114220113
1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65200458
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
CID 155905387
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine (CID 65200827) is 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(C(N)Cc2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is IDOMNTXMHTVAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-17-5-4-12(16-17)11(15)7-8-6-9(13)2-3-10(8)14/h2-6,11H,7,15H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65200827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).