N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine

C24H23FN4 — CID 26397328

IUPACN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1ccc(-n2cc(CNCc3ccncc3C)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H23FN4/c1-17-3-9-23(10-4-17)29-16-21(15-27-14-20-11-12-26-13-18(20)2)24(28-29)19-5-7-22(25)8-6-19/h3-13,16,27H,14-15H2,1-2H3
InChIKeyIFJZOUSGGIIXDF-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.98
Rot. Bonds6

About N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine

N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 26397328) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID26397328
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC NameN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1ccc(-n2cc(CNCc3ccncc3C)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H23FN4/c1-17-3-9-23(10-4-17)29-16-21(15-27-14-20-11-12-26-13-18(20)2)24(28-29)19-5-7-22(25)8-6-19/h3-13,16,27H,14-15H2,1-2H3
InChIKeyIFJZOUSGGIIXDF-UHFFFAOYSA-N
XLogP4.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 42532881
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
CID 112773639
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine
CID 25383519
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
CID 99938045
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 95870427
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 26690499
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine (CID 26397328) is N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine is Cc1ccc(-n2cc(CNCc3ccncc3C)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is IFJZOUSGGIIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-17-3-9-23(10-4-17)29-16-21(15-27-14-20-11-12-26-13-18(20)2)24(28-29)19-5-7-22(25)8-6-19/h3-13,16,27H,14-15H2,1-2H3.
What are the key properties of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 386.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 26397328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).