N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine

C24H30FN5O — CID 74798849

IUPACN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCC2CNNC2)cc1F
InChIInChI=1S/C24H30FN5O/c1-17-6-4-5-7-22(17)30-16-20(15-29(2)11-10-18-13-26-27-14-18)24(28-30)19-8-9-23(31-3)21(25)12-19/h4-9,12,16,18,26-27H,10-11,13-15H2,1-3H3
InChIKeyKPBYPMLXMBUWMP-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.54
Rot. Bonds8

About N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine

N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine (PubChem CID 74798849) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine
PubChem CID74798849
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC NameN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCC2CNNC2)cc1F
InChIInChI=1S/C24H30FN5O/c1-17-6-4-5-7-22(17)30-16-20(15-29(2)11-10-18-13-26-27-14-18)24(28-30)19-8-9-23(31-3)21(25)12-19/h4-9,12,16,18,26-27H,10-11,13-15H2,1-3H3
InChIKeyKPBYPMLXMBUWMP-UHFFFAOYSA-N
XLogP3.54
TPSA54.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-ethyl-4-[[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 42525507
3-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propane-1,2-diol
CID 45229661
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 29087819
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 45222602
2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
CID 95889035
3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 29022180
2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol
CID 70734493
4-ethyl-3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazole
CID 141089638
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
CID 155977757
[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 3793270
N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[(3S)-1-methylpiperidin-3-yl]methanamine
CID 26318553
1-[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 25370859

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine?
The IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine (CID 74798849) is N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine?
The canonical SMILES for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine is COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCC2CNNC2)cc1F.
What is the InChIKey of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine?
The InChIKey is KPBYPMLXMBUWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O/c1-17-6-4-5-7-22(17)30-16-20(15-29(2)11-10-18-13-26-27-14-18)24(28-30)19-8-9-23(31-3)21(25)12-19/h4-9,12,16,18,26-27H,10-11,13-15H2,1-3H3.
What are the key properties of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine?
N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine has a molecular weight of 423.54 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine is sourced from PubChem (CID 74798849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).