N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine

C29H31FN4O — CID 112773639

IUPACN-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C29H31FN4O/c1-22-6-8-23(9-7-22)29-26(21-34(32-29)28-12-10-27(30)11-13-28)19-31-18-24-4-2-3-5-25(24)20-33-14-16-35-17-15-33/h2-13,21,31H,14-20H2,1H3
InChIKeyYCIMBJGBTLCRCW-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.11
Rot. Bonds8

About N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine

N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 112773639) has the molecular formula C29H31FN4O and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID112773639
Molecular FormulaC29H31FN4O
Molecular Weight470.59 g/mol
Exact Mass470.25
IUPAC NameN-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C29H31FN4O/c1-22-6-8-23(9-7-22)29-26(21-34(32-29)28-12-10-27(30)11-13-28)19-31-18-24-4-2-3-5-25(24)20-33-14-16-35-17-15-33/h2-13,21,31H,14-20H2,1H3
InChIKeyYCIMBJGBTLCRCW-UHFFFAOYSA-N
XLogP5.11
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 26397328
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45179657
4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine
CID 28697636
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046242
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 26690499
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51923545
1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909299
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine (CID 112773639) is N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is YCIMBJGBTLCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O/c1-22-6-8-23(9-7-22)29-26(21-34(32-29)28-12-10-27(30)11-13-28)19-31-18-24-4-2-3-5-25(24)20-33-14-16-35-17-15-33/h2-13,21,31H,14-20H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 470.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 112773639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).