N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine

C23H21FN4O — CID 42519423

IUPACN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccccc1Oc1ncccc1CNCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C23H21FN4O/c1-16-6-2-3-10-21(16)29-23-18(8-5-11-26-23)13-25-14-19-15-27-28-22(19)17-7-4-9-20(24)12-17/h2-12,15,25H,13-14H2,1H3,(H,27,28)
InChIKeyMIQZTTACQNNOJA-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.00
Rot. Bonds7

About N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine (PubChem CID 42519423) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine
PubChem CID42519423
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccccc1Oc1ncccc1CNCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C23H21FN4O/c1-16-6-2-3-10-21(16)29-23-18(8-5-11-26-23)13-25-14-19-15-27-28-22(19)17-7-4-9-20(24)12-17/h2-12,15,25H,13-14H2,1H3,(H,27,28)
InChIKeyMIQZTTACQNNOJA-UHFFFAOYSA-N
XLogP5.00
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine with MolForge

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Related Compounds

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
CID 42198890
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 42196758
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42195086
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
1-(3-methyl-4-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 114699278
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 167956831
5-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1H-imidazole-2-carboxamide
CID 56746207
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine
CID 6625394

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine (CID 42519423) is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine is Cc1ccccc1Oc1ncccc1CNCc1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is MIQZTTACQNNOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-16-6-2-3-10-21(16)29-23-18(8-5-11-26-23)13-25-14-19-15-27-28-22(19)17-7-4-9-20(24)12-17/h2-12,15,25H,13-14H2,1H3,(H,27,28).
What are the key properties of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine?
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 388.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 42519423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).