N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine

C13H15F2N3 — CID 79485450

IUPACN-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C)nc1-c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3/c1-3-16-7-9-8-18(2)17-13(9)11-5-4-10(14)6-12(11)15/h4-6,8,16H,3,7H2,1-2H3
InChIKeyNOBVTSZEMYJCPT-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.47
Rot. Bonds4

About N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine

N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine (PubChem CID 79485450) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
PubChem CID79485450
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C)nc1-c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3/c1-3-16-7-9-8-18(2)17-13(9)11-5-4-10(14)6-12(11)15/h4-6,8,16H,3,7H2,1-2H3
InChIKeyNOBVTSZEMYJCPT-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-chloro-4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79493394
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79492268
1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
CID 47613350
N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 82973521
N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209005
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379
ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
CID 86948177
N'-(4-bromobenzoyl)-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 86947969

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine (CID 79485450) is N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine is CCNCc1cn(C)nc1-c1ccc(F)cc1F.
What is the InChIKey of N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is NOBVTSZEMYJCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-3-16-7-9-8-18(2)17-13(9)11-5-4-10(14)6-12(11)15/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine?
N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).