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

C12H13F2N3 — CID 82476618

IUPAC2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCn1nc(CCN)cc1-c1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-17-12(7-9(16-17)4-5-15)10-6-8(13)2-3-11(10)14/h2-3,6-7H,4-5,15H2,1H3
InChIKeyUGOWCTXIKLVAQS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.87
Rot. Bonds3

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

2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine (PubChem CID 82476618) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
PubChem CID82476618
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCn1nc(CCN)cc1-c1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-17-12(7-9(16-17)4-5-15)10-6-8(13)2-3-11(10)14/h2-3,6-7H,4-5,15H2,1H3
InChIKeyUGOWCTXIKLVAQS-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159358
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
2-[1-ethyl-5-(2-fluorophenyl)pyrazol-3-yl]ethanamine
CID 105492850
cyclopropylmethyl 3-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]propanoate
CID 167058198
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
2-(5-bromo-1-methylpyrazol-3-yl)ethanamine
CID 83852151
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 63962017
2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072636
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 171393057

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine (CID 82476618) is 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine is Cn1nc(CCN)cc1-c1cc(F)ccc1F.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine?
The InChIKey is UGOWCTXIKLVAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-17-12(7-9(16-17)4-5-15)10-6-8(13)2-3-11(10)14/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine?
2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82476618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).