N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine

C15H15F2N5 — CID 31043834

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESFc1ccc(-c2[nH]ncc2CNCCn2cccn2)c(F)c1
InChIInChI=1S/C15H15F2N5/c16-12-2-3-13(14(17)8-12)15-11(10-19-21-15)9-18-5-7-22-6-1-4-20-22/h1-4,6,8,10,18H,5,7,9H2,(H,19,21)
InChIKeyDJXMEVJIOPVCHO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.34
Rot. Bonds6

About N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (PubChem CID 31043834) has the molecular formula C15H15F2N5 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
PubChem CID31043834
Molecular FormulaC15H15F2N5
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESFc1ccc(-c2[nH]ncc2CNCCn2cccn2)c(F)c1
InChIInChI=1S/C15H15F2N5/c16-12-2-3-13(14(17)8-12)15-11(10-19-21-15)9-18-5-7-22-6-1-4-20-22/h1-4,6,8,10,18H,5,7,9H2,(H,19,21)
InChIKeyDJXMEVJIOPVCHO-UHFFFAOYSA-N
XLogP2.34
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 42289115
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 29151930
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
CID 42529390
1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
CID 45200383
N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine
CID 58683070
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808903
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484685
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 26402492
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 42158119

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (CID 31043834) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is Fc1ccc(-c2[nH]ncc2CNCCn2cccn2)c(F)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is DJXMEVJIOPVCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5/c16-12-2-3-13(14(17)8-12)15-11(10-19-21-15)9-18-5-7-22-6-1-4-20-22/h1-4,6,8,10,18H,5,7,9H2,(H,19,21).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 303.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 31043834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).