2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine

C19H24FN5O — CID 42593879

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)CCn2nc(C)cc2C)cc1F
InChIInChI=1S/C19H24FN5O/c1-13-9-14(2)25(23-13)8-7-24(3)12-16-11-21-22-19(16)15-5-6-18(26-4)17(20)10-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,21,22)
InChIKeyNJYVLFOKKLUGRN-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.17
Rot. Bonds7

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine

2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine (PubChem CID 42593879) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
PubChem CID42593879
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)CCn2nc(C)cc2C)cc1F
InChIInChI=1S/C19H24FN5O/c1-13-9-14(2)25(23-13)8-7-24(3)12-16-11-21-22-19(16)15-5-6-18(26-4)17(20)10-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,21,22)
InChIKeyNJYVLFOKKLUGRN-UHFFFAOYSA-N
XLogP3.17
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxyphenyl)piperazine
CID 2812421
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
3-(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-4-methyl-1,2,5-oxadiazole
CID 16189774
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridine
CID 10295106
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470
3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine (CID 42593879) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine is COc1ccc(-c2[nH]ncc2CN(C)CCn2nc(C)cc2C)cc1F.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
The InChIKey is NJYVLFOKKLUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-13-9-14(2)25(23-13)8-7-24(3)12-16-11-21-22-19(16)15-5-6-18(26-4)17(20)10-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine has a molecular weight of 357.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 42593879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).