N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine

C24H23FN4 — CID 45218220

IUPACN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CNC(c2ccncc2)c2ccc(F)cc2)cc1C
InChIInChI=1S/C24H23FN4/c1-16-3-4-20(13-17(16)2)24-21(15-28-29-24)14-27-23(19-9-11-26-12-10-19)18-5-7-22(25)8-6-18/h3-13,15,23,27H,14H2,1-2H3,(H,28,29)
InChIKeyZUHTVMZYVLDULO-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.11
Rot. Bonds6

About N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine

N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine (PubChem CID 45218220) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine
PubChem CID45218220
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CNC(c2ccncc2)c2ccc(F)cc2)cc1C
InChIInChI=1S/C24H23FN4/c1-16-3-4-20(13-17(16)2)24-21(15-28-29-24)14-27-23(19-9-11-26-12-10-19)18-5-7-22(25)8-6-18/h3-13,15,23,27H,14H2,1-2H3,(H,28,29)
InChIKeyZUHTVMZYVLDULO-UHFFFAOYSA-N
XLogP5.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484672
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 42518974
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]adamantan-1-amine
CID 4034866
N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485569
N-[[5-(4-iodophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114083286
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 45169458
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[[5-(4-fluoro-3,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484518

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine (CID 45218220) is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine is Cc1ccc(-c2[nH]ncc2CNC(c2ccncc2)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine?
The InChIKey is ZUHTVMZYVLDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-16-3-4-20(13-17(16)2)24-21(15-28-29-24)14-27-23(19-9-11-26-12-10-19)18-5-7-22(25)8-6-18/h3-13,15,23,27H,14H2,1-2H3,(H,28,29).
What are the key properties of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine?
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine has a molecular weight of 386.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 45218220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).