1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine

C12H13F2N3 — CID 62126805

IUPAC1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H13F2N3/c1-17-7-8(6-16-17)4-12(15)9-2-3-10(13)11(14)5-9/h2-3,5-7,12H,4,15H2,1H3
InChIKeyFYLOCVBAAZAFQW-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.94
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 62126805) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID62126805
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H13F2N3/c1-17-7-8(6-16-17)4-12(15)9-2-3-10(13)11(14)5-9/h2-3,5-7,12H,4,15H2,1H3
InChIKeyFYLOCVBAAZAFQW-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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821547
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
1-(4-fluoro-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029968
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
CID 62127678
1-(2-chloro-6-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63023518
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 62126805) is 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CC(N)c2ccc(F)c(F)c2)cn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is FYLOCVBAAZAFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-17-7-8(6-16-17)4-12(15)9-2-3-10(13)11(14)5-9/h2-3,5-7,12H,4,15H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-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 1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62126805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).