N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline

C22H18F3N3 — CID 123297366

IUPACN-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline
SMILESCN(Cc1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1)c1ccccc1
InChIInChI=1S/C22H18F3N3/c1-27(19-5-3-2-4-6-19)15-16-11-12-28-21(13-16)20(14-26-28)17-7-9-18(10-8-17)22(23,24)25/h2-14H,15H2,1H3
InChIKeyJZPQHFNTVWGUKL-UHFFFAOYSA-N
MW381.40 g/mol
LogP5.66
Rot. Bonds4

About N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline

N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline (PubChem CID 123297366) has the molecular formula C22H18F3N3 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline
PubChem CID123297366
Molecular FormulaC22H18F3N3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC NameN-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline
SMILESCN(Cc1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1)c1ccccc1
InChIInChI=1S/C22H18F3N3/c1-27(19-5-3-2-4-6-19)15-16-11-12-28-21(13-16)20(14-26-28)17-7-9-18(10-8-17)22(23,24)25/h2-14H,15H2,1H3
InChIKeyJZPQHFNTVWGUKL-UHFFFAOYSA-N
XLogP5.66
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline
CID 118554437
4-[5-[(4-isocyano-N-methylanilino)methyl]pyrazolo[1,5-a]pyridin-3-yl]aniline
CID 123655659
3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
CID 75398519
N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 154441795
[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanol
CID 59476264
4-amino-2-methyl-5-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 117127653
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
N-(4-isocyanophenyl)-N-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 123214881
N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 44758028

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline (CID 123297366) is N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline is CN(Cc1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1)c1ccccc1.
What is the InChIKey of N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline?
The InChIKey is JZPQHFNTVWGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3/c1-27(19-5-3-2-4-6-19)15-16-11-12-28-21(13-16)20(14-26-28)17-7-9-18(10-8-17)22(23,24)25/h2-14H,15H2,1H3.
What are the key properties of N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline?
N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline has a molecular weight of 381.40 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline is sourced from PubChem (CID 123297366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).